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893638-28-3

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Basic Information
CAS No.: 893638-28-3
Name: [1,1'-Biphenyl]-3-carboxylic acid, 4-hydroxy-3',5'-bis(trifluoromethyl)-
Molecular Structure:
Molecular Structure of 893638-28-3 ([1,1'-Biphenyl]-3-carboxylic acid, 4-hydroxy-3',5'-bis(trifluoromethyl)-)
Formula: C15H8F6O3
Molecular Weight: 350.21
Synonyms: 4-Hydroxy-3',5'-bis(trifluoromethyl)biphenyl-3-carboxylic acid;
Density: 1.505 g/cm3
Boiling Point: 386.399 °C at 760 mmHg
Flash Point: 187.488 °C
PSA: 57.53000
LogP: 4.79500
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Specification

The [1,1'-Biphenyl]-3-carboxylicacid, 4-hydroxy-3',5'-bis(trifluoromethyl)-, with its CAS registry number 893638-28-3, has its systematic name of 4-hydroxy-3',5'-bis(trifluoromethyl)biphenyl-3-carboxylic acid. With its molecular formula of C15H8F6O3, it should be kept in the cool, dry and well-ventilated place.

Physical properties of [1,1'-Biphenyl]-3-carboxylicacid, 4-hydroxy-3',5'-bis(trifluoromethyl)-: (1)ACD/LogP: 4.52; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3; (4)ACD/LogD (pH 7.4): 3; (5)ACD/BCF (pH 5.5): 38; (6)ACD/BCF (pH 7.4): 28; (7)ACD/KOC (pH 5.5): 65; (8)ACD/KOC (pH 7.4): 48; (9)#H bond acceptors: 3; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 57.53 Å2; (13)Index of Refraction: 1.51; (14)Molar Refractivity: 69.616 cm3; (15)Molar Volume: 232.698 cm3; (16)Polarizability: 27.598×10-24cm3; (17)Surface Tension: 36.557 dyne/cm; (18)Density: 1.505 g/cm3; (19)Flash Point: 187.488 °C; (20)Enthalpy of Vaporization: 67.012 kJ/mol; (21)Boiling Point: 386.399 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES:O=C(O)c1cc(ccc1O)c2cc(cc(c2)C(F)(F)F)C(F)(F)F
(2)InChI:InChI=1/C15H8F6O3/c16-14(17,18)9-3-8(4-10(6-9)15(19,20)21)7-1-2-12(22)11(5-7)13(23)24/h1-6,22H,(H,23,24)
(3)InChIKey:CAQBXYCSAHRHOR-UHFFFAOYAZ