Zinc iodide--tris(4-methoxyphenyl)(oxo)-lambda~5~-phosphane (1/2/2)

CAS Number: 74039-83-1

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COc(cc1)ccc1P(c(cc1)ccc1OC)(c(cc1)ccc1OC)=O.COc(cc1)ccc1P(c(cc1)ccc1OC)(c(cc1)ccc1OC)=O.[Zn+2].[I-].[I-]

Molecule Information

Mutagenic: none Tumorigenic: none Irritant: high

Formula

I.I.Zn.C21H21O4P.C21H21O4P

Molecular Weight

368.368

Drug-likeness

-14.275

CAS

74039-83-1

InChI key

VFUPILVUDOCECG-UHFFFAOYSA-L

SMILES

COc(cc1)ccc1P(c(cc1)ccc1OC)(c(cc1)ccc1OC)=O.COc(cc1)ccc1P(c(cc1)ccc1OC)(c(cc1)ccc1OC)=O.[Zn+2].[I-].[I-]

ChemrytIQ

CAS Information Snapshot

1 database item

Mutagenic

none

Tumorigenic

none

Handling Watch

Irritant: high | Reproductive effective: none

Molecule Information
Related CAS

Property	Value
CAS Number	74039-83-1
Molecule Name	Zinc iodide--tris(4-methoxyphenyl)(oxo)-lambda~5~-phosphane (1/2/2)
Molecular Formula	I.I.Zn.C21H21O4P.C21H21O4P
SMILES	COc(cc1)ccc1P(c(cc1)ccc1OC)(c(cc1)ccc1OC)=O.COc(cc1)ccc1P(c(cc1)ccc1OC)(c(cc1)ccc1OC)=O.[Zn+2].[I-].[I-]
InChI	InChI=1S/2C21H21O4P.2HI.Zn/c21-23-16-4-10-19(11-5-16)26(22,20-12-6-17(24-2)7-13-20)21-14-8-18(25-3)9-15-21;;;/h24-15H,1-3H3;2*1H;/q;;;;+2/p-2
InChI Key	VFUPILVUDOCECG-UHFFFAOYSA-L
CanonicalSyTyLFy	eb0c7d578cb832c
TotalMolweight	1055.93
Molecular Weight	368.368
MonoisotopicMass	368.117747
CLogP	4.2505
CLogS	-4.909
H Acceptors	4
TotalSurfaceArea	283.33
Relative PSA	0.16595
PolarSurfaceArea	54.57
Drug-likeness	-14.275
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	high
Shape Index	0.5
Molecula Flexibility	0.4985
Molecular Complexity	0.64597
Fragments	5
Non HAtoms	26
NonCHAtoms	5
Electronegative Atoms	5
Rotatable Bond	6
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	18
Sp3Atoms	7
Symmetricatoms	18

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100-47-0	high	none	high	C7H5N	103.124	-6.0498	ChemrytIQ
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