2,3-Dichlorophenylzinc iodide solution

CAS Number: 307531-97-1
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Clc([c-]ccc1)c1Cl.[Zn+]I
Molecule Information
Mutagenic: none Tumorigenic: none Irritant: none
Formula
IZn.C6H3Cl2
Molecular Weight
145.996
Drug-likeness
-2.0851
CAS
307531-97-1
InChI key
XADHHDYCWNXNIR-UHFFFAOYSA-M
SMILES
Clc([c-]ccc1)c1Cl.[Zn+]I
ChemrytIQ

CAS Information Snapshot

1 database item
Mutagenic
none
Tumorigenic
none
Handling Watch
Irritant: none | Reproductive effective: none
PropertyValue
CAS Number 307531-97-1
Molecule Name 2,3-Dichlorophenylzinc iodide solution
Molecular Formula IZn.C6H3Cl2
SMILES Clc([c-]ccc1)c1Cl.[Zn+]I
InChI InChI=1S/C6H3Cl2.HI.Zn/c7-5-3-1-2-4-6(5)8;;/h1-3H;1H;/q-1;;+2/p-1
InChI Key XADHHDYCWNXNIR-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 0.69315
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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