(1R,2S)-2-{2-Oxo-2-[2-(trifluoromethyl)phenyl]ethyl}cyclohexanecarboxylic acid
[CAS# 735274-98-3]

Identification

• Name: (1R,2S)-2-{2-Oxo-2-[2-(trifluoromethyl)phenyl]ethyl}cyclohexanecarboxylic acid
• Synonyms: trans-2-[2-oxo-2-(2-trifluoromethylphenyl)ethyl]cyclohexane-1-carboxylic acid
• Molecular Formula: C₁₆H₁₇F₃O₃
• Molecular Weight: 314.30
• CAS Registry Number: 735274-98-3
• SMILES: O=C(O)[C@@H]2CCCC[C@H]2CC(=O)c1ccccc1C(F)(F)F
• InChI: 1S/C16H17F3O3/c17-16(18,19)13-8-4-3-7-12(13)14(20)9-10-5-1-2-6-11(10)15(21)22/h3-4,7-8,10-11H,1-2,5-6,9H2,(H,21,22)/t10-,11+/m0/s1
• InChIKey: LDUOFKAZKGAMHJ-WDEREUQCSA-N

Properties

• Density: 1.261g/cm³ (Cal.)
• Boiling point: 430.921°C at 760 mmHg (Cal.)
• Flash point: 214.413°C (Cal.)
• Refractive index: 1.498 (Cal.)