Benzoic acid,2-[(2-carboxyphenyl)amino]-4-chloro- (63329-53-3)

The Lobenzarit with the cas number 63329-53-3 is also called N-(2-Carboxyphenyl)-4-chloroanthranilic acid. The IUPAC name is 2-(2-carboxyanilino)-4-chlorobenzoic acid. Its molecular formula is C₁₄H₁₀ClNO₄.

The properties of the chemical are: (1)ACD/LogP: 6.91; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 3.25; (4)ACD/LogD (pH 7.4): 2.76; (5)ACD/BCF (pH 5.5): 23.08; (6)ACD/BCF (pH 7.4): 7.41; (7)ACD/KOC (pH 5.5): 30.1; (8)ACD/KOC (pH 7.4): 9.67; (9)#H bond acceptors: 5; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 55.84 Å²; (13)Index of Refraction: 1.699; (14)Molar Refractivity: 74.38 cm³; (15)Molar Volume: 192.4 cm³; (16)Polarizability: 29.48×10^-24cm³; (17)Surface Tension: 72 dyne/cm; (18)Enthalpy of Vaporization: 78.54 kJ/mol; (19)Vapour Pressure: 4.62×10^-10 mmHg at 25°C.

Uses: This chemical can prepare 1-chloro-9,10-dihydro-9-oxo-4-acridinecarboxylic acid. This reaction needs reagent conc. H₂SO₄ at temperature of 100 °C. The reaction time is 4.0 hours. The yield is 66%.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)c1c(cc(Cl)cc1)Nc2ccccc2C(=O)O
(2)InChI: InChI=1/C14H10ClNO4/c15-8-5-6-10(14(19)20)12(7-8)16-11-4-2-1-3-9(11)13(17)18/h1-7,16H,(H,17,18)(H,19,20)
(3)InChIKey: UGDPYGKWIHHBMB-UHFFFAOYAX