3,4-Dichlorophenylzinc iodide solution

CAS Number: 312692-85-6
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Clc(c[c-]cc1)c1Cl.[Zn+]I
Molecule Information
Mutagenic: none Tumorigenic: none Irritant: none
Formula
IZn.C6H3Cl2
Molecular Weight
145.996
Drug-likeness
-2.0851
CAS
312692-85-6
InChI key
LFGUNQYPHRJOML-UHFFFAOYSA-M
SMILES
Clc(c[c-]cc1)c1Cl.[Zn+]I
ChemrytIQ

CAS Information Snapshot

1 database item
Mutagenic
none
Tumorigenic
none
Handling Watch
Irritant: none | Reproductive effective: none
PropertyValue
CAS Number 312692-85-6
Molecule Name 3,4-Dichlorophenylzinc iodide solution
Molecular Formula IZn.C6H3Cl2
SMILES Clc(c[c-]cc1)c1Cl.[Zn+]I
InChI InChI=1S/C6H3Cl2.HI.Zn/c7-5-3-1-2-4-6(5)8;;/h1,3-4H;1H;/q-1;;+2/p-1
InChI Key LFGUNQYPHRJOML-UHFFFAOYSA-M
CanonicalSyTyLFy 58863268119ae9f1
TotalMolweight 338.286
Molecular Weight 145.996
MonoisotopicMass 144.961179
CLogP 2.595
CLogS -3.088
TotalSurfaceArea 96.98
Drug-likeness -2.0851
Mutagenic none
Tumorigenic none
Reproductive Effective none
Irritant none
Shape Index 0.625
Molecular Complexity 0.62123
Fragments 2
Non HAtoms 8
NonCHAtoms 2
Electronegative Atoms 2
Rings Closures 1
Small Rings 1
Aromatic Rings 1
Aromatic Atoms 6

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