(1R,2S)-2-{2-Oxo-2-[4-(trifluoromethyl)phenyl]ethyl}cyclohexanecarboxylic acid
[CAS# 735275-00-0]

Identification

• Name: (1R,2S)-2-{2-Oxo-2-[4-(trifluoromethyl)phenyl]ethyl}cyclohexanecarboxylic acid
• Synonyms: trans-2-[2-oxo-2-(4-trifluoromethylphenyl)ethyl]cyclohexane-1-carboxylic acid
• Molecular Formula: C₁₆H₁₇F₃O₃
• Molecular Weight: 314.30
• CAS Registry Number: 735275-00-0
• SMILES: O=C(O)[C@@H]2CCCC[C@H]2CC(=O)c1ccc(cc1)C(F)(F)F
• InChI: 1S/C16H17F3O3/c17-16(18,19)12-7-5-10(6-8-12)14(20)9-11-3-1-2-4-13(11)15(21)22/h5-8,11,13H,1-4,9H2,(H,21,22)/t11-,13+/m0/s1
• InChIKey: XQKZBVGBIMPIMD-WCQYABFASA-N

Properties

• Density: 1.261g/cm³ (Cal.)
• Boiling point: 436.447°C at 760 mmHg (Cal.)
• Flash point: 217.756°C (Cal.)
• Refractive index: 1.498 (Cal.)