Phosphorobromidochloridic acid

CAS Number: 25758-08-1
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OP(Cl)(Br)=O
Molecule Information
Mutagenic: none Tumorigenic: none Irritant: low
Formula
HO2BrClP
Molecular Weight
179.337
Drug-likeness
-13.667
CAS
25758-08-1
InChI key
DCWADIDSXVOZHK-UHFFFAOYSA-N
SMILES
OP(Cl)(Br)=O
ChemrytIQ

CAS Information Snapshot

1 database item
Mutagenic
none
Tumorigenic
none
Handling Watch
Irritant: low | Reproductive effective: none
PropertyValue
CAS Number 25758-08-1
Molecule Name Phosphorobromidochloridic acid
Molecular Formula HO2BrClP
SMILES OP(Cl)(Br)=O
InChI InChI=1S/BrClHO2P/c1-5(2,3)4/h(H,3,4)
InChI Key DCWADIDSXVOZHK-UHFFFAOYSA-N
CanonicalSyTyLFy 722a7f537435fb02
TotalMolweight 179.337
Molecular Weight 179.337
MonoisotopicMass 177.858605
CLogP -1.9827
CLogS -0.213
H Acceptors 2
H Donors 1
TotalSurfaceArea 77.67
Relative PSA 0.38779
PolarSurfaceArea 47.11
Drug-likeness -13.667
Mutagenic none
Tumorigenic none
Reproductive Effective none
Irritant low
Nasty Functions acyl-halogenide type; Cl,Br,I on
Shape Index 0.6
Molecular Complexity 0.89588
Fragments 1
Non HAtoms 5
NonCHAtoms 5
Electronegative Atoms 5
StereoCenters 1
Sp3Atoms 2
AcidicOxygens 1
StereoCon racemate

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