The 3-Chloro-2, 2-diphenyl-propanoic acid, with the CAS registry number 25209-42-1, is also known as NSC 25514. This chemical's molecular formula is C15H13ClO2 and molecular weight is 260.7155. What's more, its IUPAC name is 3-Chloro-2, 2-diphenylpropanoic acid.
Physical properties about 3-Chloro-2, 2-diphenyl-propanoic acid are: (1)ACD/LogP: 3.73; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 2; (4)#H bond donors: 1; (5)#Freely Rotating Bonds: 4; (6)Polar Surface Area: 26.3 Å2; (7)Index of Refraction: 1.593; (8)Molar Refractivity: 70.81 cm3; (9)Molar Volume: 208.7 cm3; (10)Polarizability: 28.07×10-24 cm3; (11)Surface Tension: 48.2 dyne/cm; (12)Density: 1.249 g/cm3; (13)Flash Point: 153.7 °C; (14)Enthalpy of Vaporization: 60.5 kJ/mol; (15)Boiling Point: 330.6 °C at 760 mmHg; (16)Vapour Pressure: 6.59E-05 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: ClCC(c1ccccc1)(C(=O)O)c2ccccc2
(2) InChI: InChI=1/C15H13ClO2/c16-11-15(14(17)18,12-7-3-1-4-8-12)13-9-5-2-6-10-13/h1-10H,11H2,(H,17,18)
(3) InChIKey: XOXPNTBLXHWKGZ-UHFFFAOYAN
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