(1R,3S)-3-{2-Oxo-2-[2-(trifluoromethyl)phenyl]ethyl}cyclohexanecarboxylic acid
[CAS# 735275-40-8]

Identification

• Name: (1R,3S)-3-{2-Oxo-2-[2-(trifluoromethyl)phenyl]ethyl}cyclohexanecarboxylic acid
• Synonyms: cis-3-[2-oxo-2-(2-trifluoromethylphenyl)ethyl]cyclohexane-1-carboxylic acid
• Molecular Formula: C₁₆H₁₇F₃O₃
• Molecular Weight: 314.30
• CAS Registry Number: 735275-40-8
• SMILES: O=C(C[C@@H]1C[C@@H](CCC1)C(O)=O)c2ccccc2C(F)(F)F
• InChI: 1S/C16H17F3O3/c17-16(18,19)13-7-2-1-6-12(13)14(20)9-10-4-3-5-11(8-10)15(21)22/h1-2,6-7,10-11H,3-5,8-9H2,(H,21,22)/t10-,11+/m0/s1
• InChIKey: GQXBAYXYFBWKJZ-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.)