(2,2-Dimethylpropyl)phosphonous dichloride

CAS Number: 57620-67-4
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CC(C)(C)CP(Cl)Cl
Molecule Information
Mutagenic: none Tumorigenic: none Irritant: none
Formula
C5H11Cl2P
Molecular Weight
173.022
Drug-likeness
-19.268
CAS
57620-67-4
InChI key
QHWVWLXEXPSOSE-UHFFFAOYSA-N
SMILES
CC(C)(C)CP(Cl)Cl
ChemrytIQ

CAS Information Snapshot

1 database item
Mutagenic
none
Tumorigenic
none
Handling Watch
Irritant: none | Reproductive effective: none
PropertyValue
CAS Number 57620-67-4
Molecule Name (2,2-Dimethylpropyl)phosphonous dichloride
Molecular Formula C5H11Cl2P
SMILES CC(C)(C)CP(Cl)Cl
InChI InChI=1S/C5H11Cl2P/c1-5(2,3)4-8(6)7/h4H2,1-3H3
InChI Key QHWVWLXEXPSOSE-UHFFFAOYSA-N
CanonicalSyTyLFy ed590fd2b3c534ce
TotalMolweight 173.022
Molecular Weight 173.022
MonoisotopicMass 171.997541
CLogP 1.875
CLogS -3.071
TotalSurfaceArea 112.04
PolarSurfaceArea 13.59
Drug-likeness -19.268
Mutagenic none
Tumorigenic none
Reproductive Effective none
Irritant none
Nasty Functions Cl,Br,I on N,O,P,S,Se,I
Shape Index 0.625
Molecula Flexibility 0.82384
Molecular Complexity 0.59725
Fragments 1
Non HAtoms 8
NonCHAtoms 3
Electronegative Atoms 3
Rotatable Bond 2
Sp3Atoms 6
Symmetricatoms 3

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