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
1000339-25-2	none	none	none	C14H8N2OBrF	319.133	-1.9975	ChemrytIQ
100-25-4	none	none	none	C6H4N2O4	168.108	-7.74	ChemrytIQ
1000339-22-9	none	none	none	C8H5NO4F2	217.127	-8.0943	ChemrytIQ
100-79-8	none	low	none	C6H12O3	132.158	-9.8672	ChemrytIQ
100010-02-4	none	none	none	C14H23NO	221.343	-6.1109	ChemrytIQ
1000-41-5	none	none	low	C10H18O	154.252	-9.05	ChemrytIQ
100-56-1	high	low	low	C6H5ClHg	313.149	-2.3575	ChemrytIQ
1000068-42-7	none	none	none	C10H11NO3BrFS	324.169	-2.2263	ChemrytIQ
10001-30-6	none	none	none	C17H14O4	282.294	-0.8408	ChemrytIQ
1000-84-6	none	none	high	C4H9NO	87.1215	-6.3779	ChemrytIQ
100005-44-5	high	none	low	C7H5O2ClS	188.634	-11.771	ChemrytIQ
100-06-1	none	none	none	C9H10O2	150.176	-1.6836	ChemrytIQ
1000010-11-6	none	none	none	C28H44N2O2	440.669	-21.689	ChemrytIQ
100002-29-7	none	none	none	C12H18N2O3	238.286	2.8956	ChemrytIQ
100-20-9	high	none	low	C8H4O2Cl2	203.024	-10.706	ChemrytIQ
100-55-0	none	none	none	C6H7NO	109.128	-1.9045	ChemrytIQ
100004-95-3	none	none	none	C13H11NO3	229.234	-1.3547	ChemrytIQ
10002-06-9	none	none	none	C10H8N3ClS	237.714	2.0874	ChemrytIQ
1000018-39-2	high	high	low	C13H20N2O2S	268.38	1.9315	ChemrytIQ
1000279-69-5	none	none	none	C20H19N2O3ClS	402.901	5.7907	ChemrytIQ
1000-69-7	high	none	low	C7H18SSn	252.996	-9.6969	ChemrytIQ
100027-33-6	none	none	none	I.C21H27N2O	323.458	3.6949	ChemrytIQ
100-75-4	high	high	high	C5H10N2O	114.147	-0.86877	ChemrytIQ
1000339-34-3	none	none	none	C11H12N3OBr	282.14	-5.9074	ChemrytIQ
100023-32-3	high	high	none	CH3O4S.C20H19N2O	303.384	0.7545	ChemrytIQ
100004-79-3	none	none	none	C13H11NO2	213.235	-1.5864	ChemrytIQ
1000-00-6	none	none	high	C10H26OSi2	218.487	-62.76	ChemrytIQ
1000018-07-4	none	none	none	C14H13N3O	239.277	1.9531	ChemrytIQ
100-90-3	none	none	none	C14H16N4O3S	320.372	4.7301	ChemrytIQ
100-10-7	none	high	high	C9H11NO	149.192	-1.8715	ChemrytIQ
1000068-25-6	none	none	none	C13H15NO4BF	279.074	-46.077	ChemrytIQ
1000-16-4	none	none	none	C13H30NO3P	279.359	-34.244	ChemrytIQ
1000018-49-4	none	none	none	C14H19NO5S	313.373	2.5797	ChemrytIQ
100007-67-8	high	none	low	C5H7OClF2	156.559	-12.702	ChemrytIQ
10001-13-5	none	none	high	C12H22N2O	210.32	3.9217	ChemrytIQ
100-48-1	none	none	none	C6H4N2	104.112	-6.0498	ChemrytIQ
100010-00-2	none	none	none	C20H23NO5	357.405	-3.7157	ChemrytIQ
100016-58-8	none	high	none	C19H19NO5	341.362	1.8385	ChemrytIQ
10003-94-8	none	none	none	C9H16N2O18P4	564.118	-31.509	ChemrytIQ
1000269-68-0	none	none	none	C14H24N4	248.373	0.99367	ChemrytIQ
10001-52-2	high	high	none	C11H10N6O3S	306.305	6.7202	ChemrytIQ
100022-13-7	none	none	none	HCl.C20H21NO4	339.39	2.3133	ChemrytIQ
1000018-44-9	none	none	none	C13H16N2O5	280.279	-2.3885	ChemrytIQ
1000018-71-2	none	none	high	C14H19N3O4	293.322	-2.5213	ChemrytIQ
1000284-53-6	none	none	high	C18H36O2	284.482	-15.583	ChemrytIQ
100-40-3	none	none	high	C8H12	108.183	-9.1684	ChemrytIQ
100-04-9	none	high	none	Cl.C8H10N3	148.188	-2.0275	ChemrytIQ
100007-54-3	none	none	none	C28H30O13	574.533	-1.9839	ChemrytIQ
1000-82-4	low	high	high	C2H6N2O2	90.0816	0.41759	ChemrytIQ
100-28-7	high	low	low	C7H4N2O3	164.12	-21.552	ChemrytIQ
1000017-92-4	none	none	none	C6H4NBr2Cl	285.366	-3.6	ChemrytIQ
100-61-8	high	none	none	C7H9N	107.155	-0.23765	ChemrytIQ
1000-50-6	none	none	high	C6H15ClSi	150.724	-84.768	ChemrytIQ
1000339-32-1	none	none	none	C11H14NF	179.237	0.6275	ChemrytIQ
10003-67-5	none	none	none	C33H62O6	554.849	-22.973	ChemrytIQ
1000339-27-4	none	none	none	C14H8N3O3Br	346.14	-5.8142	ChemrytIQ
1000339-28-5	none	none	none	C14H8N2OBrCl	335.588	-0.59356	ChemrytIQ
1000-56-2	none	none	none	C3H7O4S.Na	139.151	-6.9141	ChemrytIQ
1000339-31-0	none	none	high	C12H16NCl	209.719	0.65299	ChemrytIQ
100021-85-0	none	high	high	H3O4P.C16H32O2.C2H8N2	256.428	-25.216	ChemrytIQ