Basic information
- Standard SMILES
O=C(O)c1ccc(CBr)c(Br)c1- InChIKey
YSSRVMCYUYPKNT-UHFFFAOYSA-N- Molecular formula
- C8H6Br2O2
- Average molar mass
- 293.94 g/mol
Names & identifiers
- Preferred name
- 3-bromo-4-(bromomethyl)benzoic Acid
- IUPAC
- 3-bromo-4-(bromomethyl)benzoic acid
Names & synonyms
3-bromo-4-(bromomethyl)benzoic Acid866721-92-83-bromo-4-(bromomethyl)benzoicacidBenzoic acid, 3-bromo-4-(bromomethyl)-SCHEMBL928246YSSRVMCYUYPKNT-UHFFFAOYSA-NDB-094181
Database identifiers
- PubChem CID
- 11616314
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 37.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 172
Related reactions
5 records
Compound notes
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