Basic information
- CAS
5431-97-0- Standard SMILES
O=C(O)C(Br)C(Br)c1cccc(Cl)c1- InChIKey
BHVQFJAWAAQZCT-UHFFFAOYSA-N- Molecular formula
- C9H7Br2ClO2
- Average molar mass
- 342.41 g/mol
- Monoisotopic mass
- 339.85013
Names & identifiers
- Preferred name
- 2,3-Dibromo-3-(3-chlorophenyl)propanoic acid
- IUPAC
- 2,3-dibromo-3-(3-chlorophenyl)propanoic acid
Names & synonyms
5431-97-02,3-dibromo-3-(3-chlorophenyl)propanoic acidNSC13671Benzenepropanoic acid, a,b-dibromo-3-chloro-DTXSID80279671NSC-13671DS-010211
Database identifiers
- CAS
5431-97-0- PubChem CID
- 224845
- DTXSID
DTXSID80279671
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 37.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 213
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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