Bromic acid

CAS Number: 7789-31-3
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OBr(=O)=O
Molecule Information
Mutagenic: low Tumorigenic: low Irritant: none
Formula
HO3Br
Molecular Weight
128.909
Drug-likeness
-2.5375
CAS
7789-31-3
InChI key
SXDBWCPKPHAZSM-UHFFFAOYSA-N
SMILES
OBr(=O)=O
ChemrytIQ

CAS Information Snapshot

1 database item
Mutagenic
low
Tumorigenic
low
Handling Watch
Irritant: none | Reproductive effective: none
PropertyValue
CAS Number 7789-31-3
Molecule Name Bromic acid
Molecular Formula HO3Br
SMILES OBr(=O)=O
InChI InChI=1S/BrHO3/c2-1(3)4/h(H,2,3,4)
InChI Key SXDBWCPKPHAZSM-UHFFFAOYSA-N
CanonicalSyTyLFy 20f84ddf5273a23a
TotalMolweight 128.909
Molecular Weight 128.909
MonoisotopicMass 127.910906
CLogP -2.3424
CLogS 0.252
H Acceptors 3
H Donors 1
TotalSurfaceArea 64.56
Relative PSA 0.60688
PolarSurfaceArea 54.37
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 0.75
Fragments 1
Non HAtoms 4
NonCHAtoms 4
Electronegative Atoms 4
Sp3Atoms 1
Symmetricatoms 1

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