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893637-97-3

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Basic Information
CAS No.: 893637-97-3
Name: [1,1'-Biphenyl]-3-carboxylic acid, 4'-chloro-3'-(trifluoromethyl)-
Molecular Structure:
Molecular Structure of 893637-97-3 ([1,1'-Biphenyl]-3-carboxylic acid, 4'-chloro-3'-(trifluoromethyl)-)
Formula: C14H8ClF3O2
Molecular Weight: 300.66
Synonyms: 4'-Chloro-3'-(trifluoromethyl)biphenyl-3-carboxylic acid;
Density: 1.413 g/cm3
Boiling Point: 424.342 °C at 760 mmHg
Flash Point: 210.435 °C
PSA: 37.30000
LogP: 4.72400
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Specification

The CAS registry number of [1,1'-Biphenyl]-3-carboxylicacid,4'-chloro-3'-(trifluoromethyl)- is 893637-97-3. The systematic name is 4'-chloro-3'-(trifluoromethyl)biphenyl-3-carboxylic acid. In addition, the molecular formula is C14H8ClF3O2 and the molecular weight is 300.66. It is a kind of API Intermediates.

Physical properties about [1,1'-Biphenyl]-3-carboxylicacid,4'-chloro-3'-(trifluoromethyl)- are: (1)ACD/LogP: 4.66; (2)ACD/LogD (pH 5.5): 4; (3)ACD/LogD (pH 7.4): 3; (4)ACD/BCF (pH 5.5): 335; (5)ACD/BCF (pH 7.4): 12; (6)ACD/KOC (pH 5.5): 836; (7)ACD/KOC (pH 7.4): 29; (8)#H bond acceptors: 2; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 2; (11)Polar Surface Area: 37.3 Å2; (12)Index of Refraction: 1.549; (13)Molar Refractivity: 67.65 cm3; (14)Molar Volume: 212.709 cm3; (15)Polarizability: 26.818 ×10-24cm3; (16)Surface Tension: 40.27 dyne/cm; (17)Density: 1.413 g/cm3; (18)Flash Point: 210.435 °C; (19)Enthalpy of Vaporization: 71.561 kJ/mol; (20)Boiling Point: 424.342 °C at 760 mmHg.

You can still convert the following datas into molecular structure:
(1)SMILES: FC(F)(F)c1cc(ccc1Cl)c2cc(ccc2)C(O)=O
(2)InChI: InChI=1/C14H8ClF3O2/c15-12-5-4-9(7-11(12)14(16,17)18)8-2-1-3-10(6-8)13(19)20/h1-7H,(H,19,20)
(3)InChIKey: VSQXJAQDHCHJPP-UHFFFAOYAY