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
1000-50-6	none	none	high	C6H15ClSi	150.724	-84.768	ChemrytIQ
100-25-4	none	none	none	C6H4N2O4	168.108	-7.74	ChemrytIQ
100-62-9	low	none	none	C7H7N	105.14	-1.1924	ChemrytIQ
100-47-0	high	none	high	C7H5N	103.124	-6.0498	ChemrytIQ
1000160-97-3	none	none	none	C24H28N2O3.C11H8O3	392.497	1.9926	ChemrytIQ
100012-49-5	none	none	none	C10H2O4Br4	505.738	-8.4981	ChemrytIQ
100-92-5	none	none	none	C11H17N	163.263	1.1672	ChemrytIQ
100-19-6	none	none	none	C8H7NO3	165.148	-7.0365	ChemrytIQ
100-90-3	none	none	none	C14H16N4O3S	320.372	4.7301	ChemrytIQ
1000018-10-9	none	none	none	C7H8N2OBr2	295.962	-5.2121	ChemrytIQ
1000017-93-5	none	none	none	C8H5N2O2Cl	196.593	2.9136	ChemrytIQ
100-73-2	high	none	none	C6H8O2	112.128	-6.3422	ChemrytIQ
1000284-35-4	none	none	high	C16H24O4	280.363	-11.936	ChemrytIQ
1000269-66-8	none	none	none	C12H20N4	220.319	0.5423	ChemrytIQ
100-23-2	none	high	none	C8H10N2O2	166.179	-5.0759	ChemrytIQ
100005-79-6	none	none	none	C12H9NS	199.276	-2.6106	ChemrytIQ
1000-58-4	high	high	high	C4H8Cl4Si	226.006	-54.611	ChemrytIQ
100-51-6	high	high	high	C7H8O	108.14	-2.2456	ChemrytIQ
1000339-51-4	none	none	none	C7H4NO4F	185.11	-8.2861	ChemrytIQ
100-96-9	high	none	none	C7H10N2O	138.169	-1.7412	ChemrytIQ
100-54-9	none	none	none	C6H4N2	104.112	-6.0498	ChemrytIQ
1000269-71-5	none	none	high	C12H18N2O2	222.287	-10.925	ChemrytIQ
100033-59-8	none	none	none	C8H16N2	140.229	0.9406	ChemrytIQ
100-34-5	none	none	none	Cl.C6H5N2	105.12	-4.365	ChemrytIQ
100-46-9	none	none	none	C7H9N	107.155	-2.0712	ChemrytIQ
1000018-58-5	none	none	none	C6H4NBr2Cl	285.366	-3.6	ChemrytIQ
10001-08-8	none	none	high	C11H22N2O	198.309	-3.1037	ChemrytIQ
1000339-31-0	none	none	high	C12H16NCl	209.719	0.65299	ChemrytIQ
100021-47-4	none	none	none	C13H17N5O6	339.307	-2.7249	ChemrytIQ
100-95-8	none	none	none	Cl.C23H41N2O	361.592	-17.647	ChemrytIQ
1000025-59-1	none	none	none	C14H11O3Cl	262.691	-1.449	ChemrytIQ
100010-21-7	none	none	none	C14H21NO	219.327	-4.2999	ChemrytIQ
1000018-13-2	none	none	none	C11H14NO2Br	272.141	-5.4951	ChemrytIQ
1000018-25-6	none	none	none	C13H24N2O6S	336.408	-32.405	ChemrytIQ
10003-73-3	none	none	none	HCl.C7H10N2	122.17	-2.0712	ChemrytIQ
100002-29-7	none	none	none	C12H18N2O3	238.286	2.8956	ChemrytIQ
1000339-33-2	none	none	none	C10H11NClF	199.655	0.76	ChemrytIQ
100-58-3	none	none	none	Br.C6H5Mg	101.411	-2.3575	ChemrytIQ
100008-36-4	none	none	none	C17H22O2	258.36	-5.6379	ChemrytIQ
1000339-36-5	none	none	none	C16H19NO3S	305.397	-3.4866	ChemrytIQ
1000339-22-9	none	none	none	C8H5NO4F2	217.127	-8.0943	ChemrytIQ
100010-00-2	none	none	none	C20H23NO5	357.405	-3.7157	ChemrytIQ
100-63-0	high	high	none	C6H8N2	108.144	-4.3224	ChemrytIQ
100-94-7	none	none	none	Cl.C16H20N	226.342	-1.9788	ChemrytIQ
1000160-75-7	none	none	low	C14H17O2BS	260.164	-20.35	ChemrytIQ
100031-92-3	none	none	high	C10H30OSi4	278.691	-53.619	ChemrytIQ
100007-54-3	none	none	none	C28H30O13	574.533	-1.9839	ChemrytIQ
1000018-71-2	none	none	high	C14H19N3O4	293.322	-2.5213	ChemrytIQ
1000025-92-2	none	none	none	C20H16N2O2	316.359	-6.3825	ChemrytIQ
100-66-3	high	none	high	C7H8O	108.14	-2.0846	ChemrytIQ
1000018-59-6	none	none	low	C10H15O2BrS	279.197	-14.078	ChemrytIQ
100-00-5	none	none	none	C6H4NO2Cl	157.556	-7.4592	ChemrytIQ
1000-40-4	high	none	low	C10H24S2Sn	327.143	-7.0269	ChemrytIQ
100-12-9	none	none	none	C8H9NO2	151.164	-7.7443	ChemrytIQ
1000018-26-7	none	none	none	C16H23NO3	277.363	-15.052	ChemrytIQ
1000198-80-0	none	none	none	C11H14NF	179.237	-0.04876	ChemrytIQ
1000018-48-3	none	none	none	C12H15NO4S	269.32	1.5148	ChemrytIQ
100-20-9	high	none	low	C8H4O2Cl2	203.024	-10.706	ChemrytIQ
1000-41-5	none	none	low	C10H18O	154.252	-9.05	ChemrytIQ
1000068-26-7	none	none	none	C13H15NO4BF	279.074	-46.077	ChemrytIQ