Chloro(hydroxy)oxophosphanium

CAS Number: 14939-33-4
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O[P+](Cl)=O
Molecule Information
Mutagenic: none Tumorigenic: none Irritant: none
Formula
HO2ClP
Molecular Weight
99.4329
Drug-likeness
-5.8875
CAS
14939-33-4
InChI key
SXBWWCMQNXTHTF-UHFFFAOYSA-N
SMILES
O[P+](Cl)=O
ChemrytIQ

CAS Information Snapshot

1 database item
Mutagenic
none
Tumorigenic
none
Handling Watch
Irritant: none | Reproductive effective: none
PropertyValue
CAS Number 14939-33-4
Molecule Name Chloro(hydroxy)oxophosphanium
Molecular Formula HO2ClP
SMILES O[P+](Cl)=O
InChI InChI=1S/ClH2O2P/c1-4(2)3/h4H,(H,2,3)/q+1
InChI Key SXBWWCMQNXTHTF-UHFFFAOYSA-N
CanonicalSyTyLFy cb24522bfd447107
TotalMolweight 99.4329
Molecular Weight 99.4329
MonoisotopicMass 98.940269
CLogP -1.8166
CLogS -0.579
H Acceptors 2
H Donors 1
TotalSurfaceArea 48.31
Relative PSA 0.54109
PolarSurfaceArea 37.3
Drug-likeness -5.8875
Mutagenic none
Tumorigenic none
Reproductive Effective none
Irritant none
Nasty Functions acyl-halogenide type; Cl,Br,I on
Shape Index 0.75
Fragments 1
Non HAtoms 4
NonCHAtoms 4
Electronegative Atoms 4
StereoCenters 1
Sp3Atoms 2
AcidicOxygens 1
StereoCon racemate

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