Basic information
- CAS
18910-14-0- Standard SMILES
O=C(O)c1cccc(CC(Br)C(=O)O)c1- InChIKey
KQJYLOJYMYQEFS-UHFFFAOYSA-N- Molecular formula
- C10H9BrO4
- Average molar mass
- 273.08 g/mol
- Monoisotopic mass
- 271.96842
Names & identifiers
- Preferred name
- 3-(2-Bromo-2-carboxyethyl)benzoic acid
- IUPAC
- 3-(2-bromo-2-carboxyethyl)benzoic acid
Names & synonyms
3-(2-bromo-2-carboxyethyl)benzoic acidNSC10112718910-14-0NSC-101127CHEMBL2006985DTXSID20295310NCI60_000033
Database identifiers
- CAS
18910-14-0- PubChem CID
- 265268
- DTXSID
DTXSID20295310- ChEMBL
CHEMBL2006985
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 74.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 254
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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