Benzoic acid,2-[(3-chlorophenyl)amino]- (13278-36-9)

The Clofenamic acid with the cas registry number of 13278-36-9 belongs to the product categories of aromatic carboxylic acids, amides, anilides, anhydrides salts; pharmacetical. Its molecular formula is C₁₃H₁₀ClNO₂ and the molecular weight is 247.68. This chemical is also known as N-(3-Chlorophenyl)anthranilic acid and Benzoic acid, 2-[(3-chlorophenyl)amino]-. Its IUPAC name and systematic name are the same which is called 2-[(3-Chlorophenyl)amino]benzoic acid. This chemical is yellowish crystalloid powder.

Physical properties about this chemical are: (1)ACD/LogP: 5.31; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 3.48; (4)ACD/LogD (pH 7.4): 2.25; (5)ACD/BCF (pH 5.5): 93.94; (6)ACD/BCF (pH 7.4): 5.63; (7)ACD/KOC (pH 5.5): 271.63; (8)ACD/KOC (pH 7.4): 16.27; (9)#H bond acceptors: 3; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 29.54 Å²; (13)Index of Refraction: 1.672; (14)Molar Refractivity: 67.45 cm³; (15)Molar Volume: 179.9 cm³; (16)Surface Tension: 58.9 dyne/cm; (17)Density: 1.376 g/cm³; (18)Flash Point: 198 °C; (19)Enthalpy of Vaporization: 69.08 kJ/mol; (20)Boiling Point: 403.7 °C at 760 mmHg; (21)Vapour Pressure: 3.05E-07 mmHg at 25°C; (22)Melting Point: 171 °C.

You can still convert the following datas into molecular structure:
(1)SMILES: Clc2cc(Nc1ccccc1C(=O)O)ccc2;
(2)InChI: InChI=1/C13H10ClNO2/c14-9-4-3-5-10(8-9)15-12-7-2-1-6-11(12)13(16)17/h1-8,15H,(H,16,17);
(3)InChIKey: OVMWPVYEBVFZHM-UHFFFAOYAD;
(4)Std. InChI: InChI=1S/C13H10ClNO2/c14-9-4-3-5-10(8-9)15-12-7-2-1-6-11(12)13(16)17/h1-8,15H,(H,16,17);
(5)Std. InChIKey: OVMWPVYEBVFZHM-UHFFFAOYSA-N