Bromo(hydroxy)oxophosphanium

CAS Number: 25757-29-3
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O[P+](Br)=O
Molecule Information
Mutagenic: none Tumorigenic: none Irritant: none
Formula
HO2BrP
Molecular Weight
143.884
Drug-likeness
-5.8875
CAS
25757-29-3
InChI key
ILTNOZLINVTZFB-UHFFFAOYSA-N
SMILES
O[P+](Br)=O
ChemrytIQ

CAS Information Snapshot

1 database item
Mutagenic
none
Tumorigenic
none
Handling Watch
Irritant: none | Reproductive effective: none
PropertyValue
CAS Number 25757-29-3
Molecule Name Bromo(hydroxy)oxophosphanium
Molecular Formula HO2BrP
SMILES O[P+](Br)=O
InChI InChI=1S/BrH2O2P/c1-4(2)3/h4H,(H,2,3)/q+1
InChI Key ILTNOZLINVTZFB-UHFFFAOYSA-N
CanonicalSyTyLFy 29d42a684ae39f36
TotalMolweight 143.884
Molecular Weight 143.884
MonoisotopicMass 142.889753
CLogP -1.8166
CLogS 0.056
H Acceptors 2
H Donors 1
TotalSurfaceArea 51.52
Relative PSA 0.50738
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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