Basic information
- CAS
18910-05-9- Standard SMILES
Cc1cccc(CC(Br)C(=O)O)c1- InChIKey
CVHXNIZMJVFQGZ-UHFFFAOYSA-N- Molecular formula
- C10H11BrO2
- Average molar mass
- 243.1 g/mol
- Monoisotopic mass
- 241.99424
Names & identifiers
- Preferred name
- 2-Bromo-3-(3-methylphenyl)propanoic acid
- IUPAC
- 2-bromo-3-(3-methylphenyl)propanoic acid
Names & synonyms
18910-05-92-bromo-3-(3-methylphenyl)propanoic acidNSC101121DTXSID10295304NSC-101121
Database identifiers
- CAS
18910-05-9- PubChem CID
- 265262
- DTXSID
DTXSID10295304
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 37.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 182
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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