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Basic Information
CAS No.: 190911-79-6
Name: 3',5'-DICHLORO-BIPHENYL-4-CARBOXYLIC ACID
Molecular Structure:
Molecular Structure of 190911-79-6 (3',5'-DICHLORO-BIPHENYL-4-CARBOXYLIC ACID)
Formula: C13H8Cl2O2
Molecular Weight: 267.11
Synonyms: 3',5'-Dichloro-1,1'-biphenyl-4-carboxylicacid;3',5'-Dichlorobiphenyl-4-carboxylic acid;
Density: 1.397 g/cm3
Melting Point: 225-228℃
Boiling Point: 429.6 °C at 760 mmHg
Flash Point: 213.6 °C
PSA: 37.30000
LogP: 4.35860
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Specification

The [1,1'-Biphenyl]-4-carboxylicacid, 3',5'-dichloro-, with the CAS registry number 190911-79-6, is also known as 3',5'-Dichlorobiphenyl-4-carboxylic acid. It belongs to the product category of Pharmacetical. This chemical's molecular formula is C13H8Cl2O2 and molecular weight is 267.11. What's more, its IUPAC name is 4-(3,5-Dichlorophenyl)benzoic acid.

Physical properties about [1,1'-Biphenyl]-4-carboxylicacid, 3',5'-dichloro-: (1) ACD/LogP: 4.89; (2) # of Rule of 5 Violations: 0; (3) ACD/LogD (pH 5.5): 3.37; (4) ACD/LogD (pH 7.4): 1.93; (5) ACD/BCF (pH 5.5): 92.48; (6) ACD/BCF (pH 7.4): 3.36; (7) ACD/KOC (pH 5.5): 328.04; (8) ACD/KOC (pH 7.4): 11.9; (9) #H bond acceptors: 2; (10) #H bond donors: 1; (11) #Freely Rotating Bonds: 2; (12) Polar Surface Area: 26.3 Å2; (13) Index of Refraction: 1.624; (14) Molar Refractivity: 67.56 cm3; (15) Molar Volume: 191.1 cm3; (16) Surface Tension: 52.4 dyne/cm; (17) Density: 1.397 g/cm3; (18) Flash Point: 213.6 °C; (19) Enthalpy of Vaporization: 72.19 kJ/mol; (20) Boiling Point: 429.6 °C at 760 mmHg; (21) Vapour Pressure: 3.83E-08 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: Clc2cc(c1ccc(C(=O)O)cc1)cc(Cl)c2
(2) InChI: InChI=1/C13H8Cl2O2/c14-11-5-10(6-12(15)7-11)8-1-3-9(4-2-8)13(16)17/h1-7H,(H,16,17)
(3) InChIKey: IFTKERBYCONAST-UHFFFAOYAV