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CAS No.: | 168619-03-2 |
---|---|
Name: | 2'-CHLORO-BIPHENYL-3-CARBOXYLIC ACID |
Molecular Structure: | |
Formula: | C13H9ClO2 |
Molecular Weight: | 232.6624 |
Synonyms: | RARECHEM AL BE 1395;AKOS BAR-0011;3-BIPHENYL-2-CHLORO-CARBOXYLIC ACID;2-CHLORO-BIPHENYL-3-CARBOXYLIC ACID;2-CHLORO-[1,1-BIPHENYL]-3-CARBOXYLIC ACID;3-(2-Chlorophenyl)benzoic acid |
Density: | 1.298g/cm3 |
Boiling Point: | 400.8 °C at 760 mmHg |
Flash Point: | 196.2 °C |
Hazard Symbols: | Xi |
PSA: | 37.30000 |
LogP: | 3.70520 |
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The [1,1'-Biphenyl]-3-carboxylicacid, 2'-chloro-, with CAS registry number 168619-03-2, has the systematic name of 2'-chlorobiphenyl-3-carboxylic acid. Besides this, it is also called 3-(2-Chlorophenyl)benzoic acid. And the chemical formula of this chemical is C13H9ClO2.
Physical properties of [1,1'-Biphenyl]-3-carboxylicacid, 2'-chloro-: (1)ACD/LogP: 4.31; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.84; (4)ACD/LogD (pH 7.4): 1.37; (5)ACD/BCF (pH 5.5): 37.57; (6)ACD/BCF (pH 7.4): 1.27; (7)ACD/KOC (pH 5.5): 177.8; (8)ACD/KOC (pH 7.4): 6.02; (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: 196.2 °C; (20)Enthalpy of Vaporization: 68.72 kJ/mol; (21)Boiling Point: 400.8 °C at 760 mmHg; (22)Vapour Pressure: 3.84E-07 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: Clc2ccccc2c1cccc(C(=O)O)c1
(2)InChI: InChI=1/C13H9ClO2/c14-12-7-2-1-6-11(12)9-4-3-5-10(8-9)13(15)16/h1-8H,(H,15,16)
(3)InChIKey: XGEMSZNXYHULJU-UHFFFAOYAQ
(4)Std. InChI: InChI=1S/C13H9ClO2/c14-12-7-2-1-6-11(12)9-4-3-5-10(8-9)13(15)16/h1-8H,(H,15,16)
(5)Std. InChIKey: XGEMSZNXYHULJU-UHFFFAOYSA-N