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Basic Information
CAS No.: 56980-11-1
Name: 2-[(2-chlorophenyl)amino]-5-methoxybenzoic acid
Molecular Structure:
Molecular Structure of 56980-11-1 (2-[(2-chlorophenyl)amino]-5-methoxybenzoic acid)
Formula: C14H12ClNO3
Molecular Weight: 277.707
Synonyms: 2-(2-Chloroanilino)-5-methoxybenzoic acid;2-[(2-Chlorophenyl)amino]-5-methoxybenzoic acid;
Density: 1.361 g/cm3
Boiling Point: 419.6 °C at 760 mmHg
Flash Point: 207.6 °C
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Specification

The Benzoic acid, 2-[(2-chlorophenyl)amino]-5-methoxy-, with the CAS registry number 56980-11-1, is also known as 2-(2-Chloroanilino)-5-methoxybenzoic acid. This chemical's molecular formula is C14H12ClNO3 and molecular weight is 277.7. What's more, its systematic name is 2-[(2-chlorophenyl)amino]-5-methoxybenzoic acid.

Physical properties of Benzoic acid, 2-[(2-chlorophenyl)amino]-5-methoxy- are: (1)ACD/LogP: 5.46; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 3.54; (4)ACD/LogD (pH 7.4): 2.39; (5)ACD/BCF (pH 5.5): 100.7; (6)ACD/BCF (pH 7.4): 7.13; (7)ACD/KOC (pH 5.5): 268.98; (8)ACD/KOC (pH 7.4): 19.06; (9)#H bond acceptors: 4; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 38.77 Å2; (13)Index of Refraction: 1.647; (14)Molar Refractivity: 74.13 cm3; (15)Molar Volume: 203.9 cm3; (16)Polarizability: 29.38×10-24cm3; (17)Surface Tension: 54.9 dyne/cm; (18)Density: 1.361 g/cm3; (19)Flash Point: 207.6 °C; (20)Enthalpy of Vaporization: 70.99 kJ/mol; (21)Boiling Point: 419.6 °C at 760 mmHg; (22)Vapour Pressure: 8.61E-08 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Clc2ccccc2Nc1ccc(OC)cc1C(=O)O
(2)InChI: InChI=1S/C14H12ClNO3/c1-19-9-6-7-12(10(8-9)14(17)18)16-13-5-3-2-4-11(13)15/h2-8,16H,1H3,(H,17,18)
(3)InChIKey: AREZHPKMIIHYHM-UHFFFAOYSA-N