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CAS No.: | 7079-15-4 |
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Name: | 4'-CHLORO-BIPHENYL-2-CARBOXYLIC ACID |
Molecular Structure: | |
Formula: | C13H9ClO2 |
Molecular Weight: | 232.666 |
Synonyms: | 2-Biphenylcarboxylicacid, 4'-chloro- (7CI,8CI);2-(4-Chlorophenyl)benzoic acid;2-(p-Chlorophenyl)benzoic acid;4'-Chloro-1,1'-biphenyl-2-carboxylic acid;4'-Chloro-2-biphenylcarboxylic acid; |
Density: | 1.298 g/cm3 |
Melting Point: | 167-169°C |
Boiling Point: | 370.5 °C at 760 mmHg |
Flash Point: | 177.8 °C |
Hazard Symbols: | Xi |
PSA: | 37.30000 |
LogP: | 3.70520 |
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The [1,1'-Biphenyl]-2-carboxylicacid, 4'-chloro-, with CAS registry number 7079-15-4, has the systematic name of 4'-chlorobiphenyl-2-carboxylic acid. Besides this, it is also called 2-Biphenyl-4'-chloro-carboxylic acid. And the chemical formula of this chemical is C13H9ClO2.
Physical properties of [1,1'-Biphenyl]-2-carboxylicacid, 4'-chloro-: (1)ACD/LogP: 3.57; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.86; (4)ACD/LogD (pH 7.4): 0.54; (5)ACD/BCF (pH 5.5): 5.88; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 40.36; (8)ACD/KOC (pH 7.4): 1.97; (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: 1.616; (14)Molar Refractivity: 62.66 cm3; (15)Molar Volume: 179.1 cm3; (16)Polarizability: 24.84×10-24cm3; (17)Surface Tension: 50.8 dyne/cm; (18)Density: 1.298 g/cm3; (19)Flash Point: 177.8 °C; (20)Enthalpy of Vaporization: 65.13 kJ/mol; (21)Boiling Point: 370.5 °C at 760 mmHg; (22)Vapour Pressure: 3.83E-06 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: Clc2ccc(c1c(C(=O)O)cccc1)cc2
(2)InChI: InChI=1/C13H9ClO2/c14-10-7-5-9(6-8-10)11-3-1-2-4-12(11)13(15)16/h1-8H,(H,15,16)
(3)InChIKey: LCDIWTLDJLGFKG-UHFFFAOYAP
(4)Std. InChI: InChI=1S/C13H9ClO2/c14-10-7-5-9(6-8-10)11-3-1-2-4-12(11)13(15)16/h1-8H,(H,15,16)
(5)Std. InChIKey: LCDIWTLDJLGFKG-UHFFFAOYSA-N