(1R,2S)-2-{2-Oxo-2-[3-(trifluoromethyl)phenyl]ethyl}cyclohexanecarboxylic acid
[CAS# 735274-99-4]

Identification

• Name: (1R,2S)-2-{2-Oxo-2-[3-(trifluoromethyl)phenyl]ethyl}cyclohexanecarboxylic acid
• Synonyms: trans-2-[2-Oxo-2-(3-trifluoromethylphenyl)ethyl]cyclohexane-1-carboxylic acid
• Molecular Formula: C₁₆H₁₇F₃O₃
• Molecular Weight: 314.30
• CAS Registry Number: 735274-99-4
• SMILES: O=C(O)[C@@H]2CCCC[C@H]2CC(=O)c1cccc(c1)C(F)(F)F
• InChI: 1S/C16H17F3O3/c17-16(18,19)12-6-3-5-11(8-12)14(20)9-10-4-1-2-7-13(10)15(21)22/h3,5-6,8,10,13H,1-2,4,7,9H2,(H,21,22)/t10-,13+/m0/s1
• InChIKey: ZPIWCRNJAWHXTF-GXFFZTMASA-N

Properties

• Density: 1.261g/cm³ (Cal.)
• Boiling point: 408.782°C at 760 mmHg (Cal.)
• Flash point: 201.024°C (Cal.)
• Refractive index: 1.498 (Cal.)