Basic information
- CAS
121487-19-2- Standard SMILES
NC(C(=O)O)C(=O)c1ccc(Cl)cc1- InChIKey
LUQOFEYOWHZDKR-UHFFFAOYSA-N- Molecular formula
- C9H8ClNO3
- Average molar mass
- 213.62 g/mol
Names & identifiers
- Preferred name
- 2-Amino-3-(4-chlorophenyl)-3-oxopropanoic acid
- IUPAC
- 2-amino-3-(4-chlorophenyl)-3-oxopropanoic acid
- English name
- Phenylalanine, 4-chloro--bta--oxo-
- Molecular formula
- C9H8ClNO3
- Molecular weight
- 213.61772
Names & synonyms
Phenylalanine, 4-chloro-β-oxo-Phenylalanine, 4-chloro--bta--oxo-
Database identifiers
- CAS
121487-19-2
Properties
Computed structural properties
- XLogP
- -1.2
- Topological polar surface area
- 80.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 236
Physicochemical properties
- Boiling point
- 434 · 434.0±45.0 °C(Predicted)
- Density
- 1.442 · 1.442±0.06 g/cm3(Predicted)
- pka
- 0.08 · 0.08±0.34(Predicted)
Chemistry & industry
Suppliers1 total
CHEMSTEP[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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