(2-Chlorophenyl)(diphenyl)phosphane

CAS Number: 35035-62-2
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Clc(cccc1)c1P(c1ccccc1)c1ccccc1
Molecule Information
Mutagenic: none Tumorigenic: none Irritant: low
Formula
C18H14ClP
Molecular Weight
296.736
Drug-likeness
-16.145
CAS
35035-62-2
InChI key
HGHHUFKKOXRZTH-UHFFFAOYSA-N
SMILES
Clc(cccc1)c1P(c1ccccc1)c1ccccc1
ChemrytIQ

CAS Information Snapshot

1 database item
Mutagenic
none
Tumorigenic
none
Handling Watch
Irritant: low | Reproductive effective: none
PropertyValue
CAS Number 35035-62-2
Molecule Name (2-Chlorophenyl)(diphenyl)phosphane
Molecular Formula C18H14ClP
SMILES Clc(cccc1)c1P(c1ccccc1)c1ccccc1
InChI InChI=1S/C18H14ClP/c19-17-13-7-8-14-18(17)20(15-9-3-1-4-10-15)16-11-5-2-6-12-16/h1-14H
InChI Key HGHHUFKKOXRZTH-UHFFFAOYSA-N
CanonicalSyTyLFy 5372785a2900be3c
TotalMolweight 296.736
Molecular Weight 296.736
MonoisotopicMass 296.052164
CLogP 5.5923
CLogS -5.787
TotalSurfaceArea 214.95
PolarSurfaceArea 13.59
Drug-likeness -16.145
Mutagenic none
Tumorigenic none
Reproductive Effective none
Irritant low
Shape Index 0.45
Molecula Flexibility 0.40119
Molecular Complexity 0.67019
Fragments 1
Non HAtoms 20
NonCHAtoms 2
Electronegative Atoms 2
Rotatable Bond 3
Rings Closures 3
Small Rings 3
Aromatic Rings 3
Aromatic Atoms 18
Sp3Atoms 1
Symmetricatoms 8

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