Basic information
- CAS
1991-79-3- Standard SMILES
NC(Cc1ccccc1Br)C(=O)O- InChIKey
JFVLNTLXEZDFHW-UHFFFAOYSA-N- Molecular formula
- C9H10BrNO2
- Average molar mass
- 244.08 g/mol
- Monoisotopic mass
- 242.98949066
Names & identifiers
- Preferred name
- 2-Amino-3-(2-bromophenyl)propanoic acid
- IUPAC
- 2-amino-3-(2-bromophenyl)propanoic acid
Names & synonyms
2-amino-3-(2-bromophenyl)propanoic acid2-Bromo-DL-Phenylalanine30163-16-7MFCD05227934DL-2-AMINO-3-(2-BROMO-PHENYL)-PROPIONIC ACID2-Bromophenylalanine #dl-2-BromophenylalanineL-2-Bromo phenylalanine2-AMINO-3-(2-BROMO-PHENYL)-PROPIONIC ACIDSCHEMBL43301D-PHE(2-BR)-OHJFVLNTLXEZDFHW-UHFFFAOYSA-N
Show more names
DTXSID401379850AKOS000168432AKOS016843139AB13181AB13184AB21653AS-40504SY026385
Database identifiers
- CAS
1991-79-3- PubChem CID
- 554198
- DTXSID
DTXSID401379850- Nikkaji
- J1.687.021H
Properties
Computed structural properties
- XLogP
- -0.7
- Topological polar surface area
- 63.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 186
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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