2-(1,3-Benzodioxol-5-yl)-2-bromoacetic acid

HCID 11345950
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Basic information

Standard SMILES
O=C(O)C(Br)c1ccc2c(c1)OCO2
InChIKey
VUKAHVFPXFJSQQ-UHFFFAOYSA-N
Molecular formula
C9H7BrO4
Average molar mass
259.05 g/mol
Monoisotopic mass
257.95277

Names & identifiers

Preferred name
2-(1,3-Benzodioxol-5-yl)-2-bromoacetic acid
IUPAC
2-(1,3-benzodioxol-5-yl)-2-bromoacetic acid

Names & synonyms

SCHEMBL7333176VUKAHVFPXFJSQQ-UHFFFAOYSA-N2-(1,3-benzodioxol-5-yl)-2-bromoacetic acid

Database identifiers

PubChem CID
11345950
Nikkaji
J1.673.953G

Properties

Computed structural properties

XLogP
2.3
Topological polar surface area
55.8 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
4
Rotatable bonds
2
Heavy atoms
14

Related reactions

3 records
New reaction record

Compound notes

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