bromous acid

CAS Number: 37691-27-3
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OBr=O
Molecule Information
Mutagenic: low Tumorigenic: low Irritant: none
Formula
HO2Br
Molecular Weight
112.91
Drug-likeness
-2.5375
CAS
37691-27-3
InChI key
DKSMCEUSSQTGBK-UHFFFAOYSA-N
SMILES
OBr=O
ChemrytIQ

CAS Information Snapshot

1 database item
Mutagenic
low
Tumorigenic
low
Handling Watch
Irritant: none | Reproductive effective: none
PropertyValue
CAS Number 37691-27-3
Molecule Name bromous acid
Molecular Formula HO2Br
SMILES OBr=O
InChI InChI=1S/BrHO2/c2-1-3/h(H,2,3)
InChI Key DKSMCEUSSQTGBK-UHFFFAOYSA-N
CanonicalSyTyLFy 5035f16f5b8449af
TotalMolweight 112.91
Molecular Weight 112.91
MonoisotopicMass 111.915991
CLogP -1.8166
CLogS 0.056
H Acceptors 2
H Donors 1
TotalSurfaceArea 51.52
Relative PSA 0.50738
PolarSurfaceArea 37.3
Drug-likeness -2.5375
Mutagenic low
Tumorigenic low
Reproductive Effective none
Irritant none
Nasty Functions Cl,Br,I on N,O,P,S,Se,I
Shape Index 1
Fragments 1
Non HAtoms 3
NonCHAtoms 3
Electronegative Atoms 3
Sp3Atoms 1

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