(1R,2S)-2-[2-(4-Iodophenyl)-2-oxoethyl]cyclohexanecarboxylic acid
[CAS# 735274-97-2]

Identification

• Name: (1R,2S)-2-[2-(4-Iodophenyl)-2-oxoethyl]cyclohexanecarboxylic acid
• Synonyms: trans-2-[2-(4-iodophenyl)-2-oxoethyl]cyclohexane-1-carboxylic acid
• Molecular Formula: C₁₅H₁₇IO₃
• Molecular Weight: 372.20
• CAS Registry Number: 735274-97-2
• SMILES: O=C(O)[C@@H]2CCCC[C@H]2CC(=O)c1ccc(I)cc1
• InChI: 1S/C15H17IO3/c16-12-7-5-10(6-8-12)14(17)9-11-3-1-2-4-13(11)15(18)19/h5-8,11,13H,1-4,9H2,(H,18,19)/t11-,13+/m0/s1
• InChIKey: PBRAGIZIEINLNK-WCQYABFASA-N

Properties

• Density: 1.565g/cm³ (Cal.)
• Boiling point: 489.742°C at 760 mmHg (Cal.)
• Flash point: 249.987°C (Cal.)
• Refractive index: 1.596 (Cal.)