Iodonium dioxido(oxo)-lambda~5~-stibanyl (4-methylphenoxy)(oxido)oxo-lambda~5~-stibanyl--hydrogen fluoride (5/2/1/3)

CAS Number: 77800-12-5

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Cc(cc1)ccc1O[Sb](O)=O.Cc(cc1)ccc1O[Sb](O)=O.O[Sb](O)=O.O[Sb](O)=O.O[Sb](O)=O.O[Sb](O)=O.F.F.F.F.F.F.I.I.I.I.I.I.I.I.I.I

Molecule Information

Mutagenic: low Tumorigenic: none Irritant: high

Formula

HI.HI.HI.HI.HI.HI.HI.HI.HI.HI.C7H8O3Sb.C7H8O3Sb.H2O3Sb.H2O3Sb.H2O3Sb.H2O3Sb.HF.HF.HF.HF.HF.HF

Molecular Weight

261.898

Drug-likeness

-2.405

CAS

77800-12-5

InChI key

UBGQZVCTUBIFMT-UHFFFAOYSA-B

SMILES

Cc(cc1)ccc1O[Sb](O)=O.Cc(cc1)ccc1O[Sb](O)=O.O[Sb](O)=O.O[Sb](O)=O.O[Sb](O)=O.O[Sb](O)=O.F.F.F.F.F.F.I.I.I.I.I.I.I.I.I.I

ChemrytIQ

CAS Information Snapshot

1 database item

Mutagenic

low

Tumorigenic

none

Handling Watch

Irritant: high | Reproductive effective: none

Molecule Information
Related CAS

Property	Value
CAS Number	77800-12-5
Molecule Name	Iodonium dioxido(oxo)-lambda~5~-stibanyl (4-methylphenoxy)(oxido)oxo-lambda~5~-stibanyl--hydrogen fluoride (5/2/1/3)
Molecular Formula	HI.HI.HI.HI.HI.HI.HI.HI.HI.HI.C7H8O3Sb.C7H8O3Sb.H2O3Sb.H2O3Sb.H2O3Sb.H2O3Sb.HF.HF.HF.HF.HF.HF
SMILES	Cc(cc1)ccc1O[Sb](O)=O.Cc(cc1)ccc1O[Sb](O)=O.O[Sb](O)=O.O[Sb](O)=O.O[Sb](O)=O.O[Sb](O)=O.F.F.F.F.F.F.I.I.I.I.I.I.I.I.I.I
InChI	InChI=1S/2C7H8O.6FH.10HI.10H2O.6O.6Sb/c21-6-2-4-7(8)5-3-6;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/h22-5,8H,1H3;161H;101H2;;;;;;;;;;;;/q;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;6*+2/p-12
InChI Key	UBGQZVCTUBIFMT-UHFFFAOYSA-B
CanonicalSyTyLFy	845ddb37fe8f9349
TotalMolweight	2610
Molecular Weight	261.898
MonoisotopicMass	260.951166
CLogP	2.0936
CLogS	-1.358
H Acceptors	3
H Donors	1
TotalSurfaceArea	114.91
Relative PSA	0.31451
PolarSurfaceArea	46.53
Drug-likeness	-2.405
Mutagenic	low
Tumorigenic	none
Reproductive Effective	none
Irritant	high
Nasty Functions	unwanted atom
Shape Index	0.72727
Molecula Flexibility	0.47674
Molecular Complexity	0.58889
Fragments	22
Non HAtoms	11
NonCHAtoms	4
Metal Atoms	1
Electronegative Atoms	3
Rotatable Bond	2
Rings Closures	1
Small Rings	1
Aromatic Rings	1
Aromatic Atoms	6
Sp3Atoms	3
Symmetricatoms	2

Related CAS

Randomized CAS records for additional exploration.

CAS Number	Mutagenic	Tumorigenic	Irritant	Molecule Formula	Mol Weight	Druglikeness	ChemrytIQ
100009-88-9	none	none	none	C18H45N7	359.604	-4.1108	ChemrytIQ
1000-90-4	none	none	none	Zn.C4H7OS2.C4H7OS2	135.231	-2.7683	ChemrytIQ
1000068-65-4	none	none	none	C13H15NO4BF	279.074	-46.077	ChemrytIQ
100-67-4	none	none	none	K.C6H5O	93.1047	-2.2548	ChemrytIQ
1000-70-0	none	low	high	C7H18N2Si2	186.406	-43.673	ChemrytIQ
100-02-7	none	none	none	C6H5NO3	139.11	-7.5665	ChemrytIQ
10002-30-9	none	none	none	C12H9NOS	215.275	0.083087	ChemrytIQ
1000304-40-4	none	none	none	C11H17NO	179.262	2.2651	ChemrytIQ
100-18-5	none	none	none	C12H18	162.275	-2.5088	ChemrytIQ
1000068-24-5	none	none	low	C13H15NO4BCl	295.529	-44.638	ChemrytIQ
1000018-70-1	none	none	none	C15H18N2O6	322.316	-6.5762	ChemrytIQ
100-53-8	none	high	high	C7H8S	124.207	-6.3177	ChemrytIQ
100-77-6	none	none	none	C6H4N2Cl.Cl	139.565	-4.1248	ChemrytIQ
1000284-35-4	none	none	high	C16H24O4	280.363	-11.936	ChemrytIQ
100008-89-7	none	none	none	C11H10N4O3	246.225	-1.8465	ChemrytIQ
100-73-2	high	none	none	C6H8O2	112.128	-6.3422	ChemrytIQ
1000-30-2	none	none	high	C9H16O	140.225	-7.4662	ChemrytIQ
100-07-2	high	high	low	C8H7O2Cl	170.595	-10.49	ChemrytIQ
100010-00-2	none	none	none	C20H23NO5	357.405	-3.7157	ChemrytIQ
100033-59-8	none	none	none	C8H16N2	140.229	0.9406	ChemrytIQ
1000-77-7	high	high	none	HCl.C6H15NO6S2	261.318	1.5333	ChemrytIQ
1000160-97-3	none	none	none	C24H28N2O3.C11H8O3	392.497	1.9926	ChemrytIQ
1000018-52-9	none	none	none	C11H12N2O2S2	268.36	1.3179	ChemrytIQ
100010-99-9	none	none	none	C11H24O2	188.31	-23.185	ChemrytIQ
100004-54-4	none	high	none	C4H8Te	183.708	-3.9699	ChemrytIQ
100-70-9	none	none	none	C6H4N2	104.112	-6.0498	ChemrytIQ
1000284-53-6	none	none	high	C18H36O2	284.482	-15.583	ChemrytIQ
100001-06-7	none	none	none	I.C20H28NO	298.448	-2.3411	ChemrytIQ
1000-84-6	none	none	high	C4H9NO	87.1215	-6.3779	ChemrytIQ
100031-76-3	none	none	none	C30H44NO8P	577.652	-46.719	ChemrytIQ
1000339-25-2	none	none	none	C14H8N2OBrF	319.133	-1.9975	ChemrytIQ
1000-16-4	none	none	none	C13H30NO3P	279.359	-34.244	ChemrytIQ
100005-01-4	none	none	high	C8H21BrSSi2	285.397	-52.815	ChemrytIQ
100007-87-2	none	none	none	C16H9N2OBr	325.164	0.88714	ChemrytIQ
10003-95-9	none	none	none	C10H18N2O17P4	562.146	-25.989	ChemrytIQ
10002-37-6	none	none	none	C9H16N2O	168.239	-3.8085	ChemrytIQ
1000018-21-2	none	none	none	C17H25N3O6S	399.467	-41.344	ChemrytIQ
1000339-34-3	none	none	none	C11H12N3OBr	282.14	-5.9074	ChemrytIQ
100-45-8	none	none	high	C7H9N	107.155	-10.018	ChemrytIQ
1000018-13-2	none	none	none	C11H14NO2Br	272.141	-5.4951	ChemrytIQ
100019-40-7	none	none	none	C14H15NO3	245.277	-1.947	ChemrytIQ
1000018-40-5	low	high	none	C11H16N2O2S	240.326	1.4856	ChemrytIQ
1000018-26-7	none	none	none	C16H23NO3	277.363	-15.052	ChemrytIQ
100-76-5	none	none	high	C7H13N	111.187	3.5517	ChemrytIQ
100-46-9	none	none	none	C7H9N	107.155	-2.0712	ChemrytIQ
100022-13-7	none	none	none	HCl.C20H21NO4	339.39	2.3133	ChemrytIQ
1000000-13-4	high	high	high	C21H28O12	472.441	-0.17986	ChemrytIQ
100-66-3	high	none	high	C7H8O	108.14	-2.0846	ChemrytIQ
100-44-7	high	high	none	C7H7Cl	126.586	-2.365	ChemrytIQ
1000018-44-9	none	none	none	C13H16N2O5	280.279	-2.3885	ChemrytIQ
100027-27-8	none	none	none	CH3I.C20H24N2	292.425	3.4994	ChemrytIQ
100-82-3	none	none	none	C7H8NF	125.146	-3.4112	ChemrytIQ
1000-46-0	none	none	none	C7H18Ge	174.83	-4.6976	ChemrytIQ
1000018-22-3	none	none	none	C16H22N3O4Br	400.272	-33.051	ChemrytIQ
100013-07-8	none	none	none	C18H32B.Li	259.263	-11.013	ChemrytIQ
1000120-98-8	high	none	high	C230H305N67O122P19S19	7158.06	-20.81	ChemrytIQ
10-00-4	none	none	none	C28H34O8	498.57	-4.8409	ChemrytIQ
10001-82-8	none	none	none	C24H26N4O5S	482.559	9.4242	ChemrytIQ
1000018-71-2	none	none	high	C14H19N3O4	293.322	-2.5213	ChemrytIQ
100-28-7	high	low	low	C7H4N2O3	164.12	-21.552	ChemrytIQ