Basic information
- CAS
13406-46-7- Standard SMILES
NC(Cc1ccc(Cl)c(C(=O)O)c1)C(=O)O- InChIKey
CZQFEVBWZSZLCJ-UHFFFAOYSA-N- Molecular formula
- C10H10ClNO4
- Average molar mass
- 243.64 g/mol
- Monoisotopic mass
- 243.02983548
Names & identifiers
- Preferred name
- 3-Carboxy-4-chlorophenylalanine
- IUPAC
- 5-(2-amino-2-carboxyethyl)-2-chlorobenzoic acid
Names & synonyms
13406-46-73-carboxy-4-chlorophenylalanineDTXSID80928399RefChem:1067536DTXCID301357166BRN 2943887DL-alpha-Amino-3-carboxy-4-chlorohydrocinnamic acidHydrocinnamic acid, alpha-amino-3-carboxy-4-chloro-, DL-
Database identifiers
- CAS
13406-46-7- PubChem CID
- 64822
- DTXSID
DTXSID80928399
Properties
Computed structural properties
- XLogP
- -1.9
- Topological polar surface area
- 101 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 284
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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