3-Chlorophenylzinc iodide solution

CAS Number: 186000-42-0
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Clc1ccc[c-]c1.[Zn+]I
Molecule Information
Mutagenic: none Tumorigenic: none Irritant: none
Formula
IZn.C6H4Cl
Molecular Weight
111.551
Drug-likeness
-2.0851
CAS
186000-42-0
InChI key
QBABHOYRCMRVLP-UHFFFAOYSA-M
SMILES
Clc1ccc[c-]c1.[Zn+]I
ChemrytIQ

CAS Information Snapshot

1 database item
Mutagenic
none
Tumorigenic
none
Handling Watch
Irritant: none | Reproductive effective: none
PropertyValue
CAS Number 186000-42-0
Molecule Name 3-Chlorophenylzinc iodide solution
Molecular Formula IZn.C6H4Cl
SMILES Clc1ccc[c-]c1.[Zn+]I
InChI InChI=1S/C6H4Cl.HI.Zn/c7-6-4-2-1-3-5-6;;/h1-2,4-5H;1H;/q-1;;+2/p-1
InChI Key QBABHOYRCMRVLP-UHFFFAOYSA-M
CanonicalSyTyLFy 6eea7db354897ce4
TotalMolweight 303.841
Molecular Weight 111.551
MonoisotopicMass 111.000152
CLogP 1.989
CLogS -2.352
TotalSurfaceArea 81.56
Drug-likeness -2.0851
Mutagenic none
Tumorigenic none
Reproductive Effective none
Irritant none
Shape Index 0.71429
Molecular Complexity 0.73241
Fragments 2
Non HAtoms 7
NonCHAtoms 1
Electronegative Atoms 1
Rings Closures 1
Small Rings 1
Aromatic Rings 1
Aromatic Atoms 6

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