3-Benzoylamino-3-(4-Fluoro-Phenyl)-Propionic Acid
[CAS# 1647-94-5]

Identification

• Name: 3-Benzoylamino-3-(4-Fluoro-Phenyl)-Propionic Acid
• Synonyms: (3S)-3-(4-Fluorophenyl)-3-[(Oxo-Phenylmethyl)Amino]Propanoate; (3S)-3-(Benzoylamino)-3-(4-Fluorophenyl)Propionate; (3S)-3-(4-Fluorophenyl)-3-(Phenylcarbonylamino)Propanoate
• Molecular Formula: C₁₆H₁₃FNO₃
• Molecular Weight: 286.28
• CAS Registry Number: 1647-94-5
• SMILES: [C@@H](NC(=O)C1=CC=CC=C1)(C2=CC=C(F)C=C2)CC([O-])=O
• InChI: 1S/C16H14FNO3/c17-13-8-6-11(7-9-13)14(10-15(19)20)18-16(21)12-4-2-1-3-5-12/h1-9,14H,10H2,(H,18,21)(H,19,20)/p-1/t14-/m0/s1
• InChIKey: WLUWCIYANRIZHX-AWEZNQCLSA-M

Properties

• Boiling point: 528.308°C at 760 mmHg (Cal.)
• Flash point: 273.311°C (Cal.)