3-(4-Chlorophenyl)-3-[(2,2,2-Trifluoroacetyl)Amino]Propanoic Acid
[CAS# 117291-25-5]

Identification

• Name: 3-(4-Chlorophenyl)-3-[(2,2,2-Trifluoroacetyl)Amino]Propanoic Acid
• Synonyms: (3S)-3-(4-Chlorophenyl)-3-[(2,2,2-Trifluoro-1-Oxoethyl)Amino]Propanoate; (3S)-3-(4-Chlorophenyl)-3-[(2,2,2-Trifluoroacetyl)Amino]Propionate; (3S)-3-(4-Chlorophenyl)-3-(2,2,2-Trifluoroethanoylamino)Propanoate
• Molecular Formula: C₁₁H₈ClF₃NO₃
• Molecular Weight: 294.64
• CAS Registry Number: 117291-25-5
• SMILES: [C@@H](NC(=O)C(F)(F)F)(C1=CC=C(Cl)C=C1)CC([O-])=O
• InChI: 1S/C11H9ClF3NO3/c12-7-3-1-6(2-4-7)8(5-9(17)18)16-10(19)11(13,14)15/h1-4,8H,5H2,(H,16,19)(H,17,18)/p-1/t8-/m0/s1
• InChIKey: VKCARISYMQSVEI-QMMMGPOBSA-M

Properties

• Boiling point: 426.286°C at 760 mmHg (Cal.)
• Flash point: 211.61°C (Cal.)