Basic information
- CAS
41888-55-5- Standard SMILES
O=C(NC(Cc1ccc(Cl)cc1)C(=O)O)c1ccccc1- InChIKey
ZSQUQIIJYHCJKX-UHFFFAOYSA-N- Molecular formula
- C16H14ClNO3
- Average molar mass
- 303.74 g/mol
- Monoisotopic mass
- 303.066221
Names & identifiers
- Preferred name
- DL-Phenylalanine, N-benzoyl-4-chloro-
- IUPAC
- 2-benzamido-3-(4-chlorophenyl)propanoic acid
Names & synonyms
DL-Phenylalanine, N-benzoyl-4-chloro-41888-55-5NSC 305272NSC3052722-benzamido-3-(4-chlorophenyl)propanoic acidNSC-305272
Database identifiers
- CAS
41888-55-5- PubChem CID
- 99998
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 66.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 361
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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