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Benzoic acid,2-amino-4-[[(2,5-dichlorophenyl)amino]carbonyl]-, methyl ester (59673-82-4)

Identification
Name:Benzoic acid,2-amino-4-[[(2,5-dichlorophenyl)amino]carbonyl]-, methyl ester
Synonyms:Methyl 2-amino-4-(((2,5-dichlorophenyl)amino)carbonyl)benzoate;
CAS:59673-82-4
EINECS: 261-853-4
Molecular Formula: C15H12Cl2N2O3
Molecular Weight: 339.17
InChI: InChI=1/C15H12Cl2N2O3/c1-22-15(21)10-4-3-9(7-13(10)18)19-14(20)11-6-8(16)2-5-12(11)17/h2-7H,18H2,1H3,(H,19,20)
Molecular Structure: (C15H12Cl2N2O3) Methyl 2-amino-4-(((2,5-dichlorophenyl)amino)carbonyl)benzoate;
Properties
Melting Point: 208ºC
Density:1.459 g/cm3
Refractive index:1.668
Appearance:Yellow Powder
Specification:

The cas register number of Methyl 2-amino-4-(((2,5-dichlorophenyl)amino)carbonyl)benzoate is 59673-82-4. It also can be called as 2-Amino-4-(((2,5-dichlorophenyl)amino)carbonyl)benzoic acid methyl ester and the IUPAC Name about this chemical is methyl 2-amino-4-[(2,5-dichlorobenzoyl)amino]benzoate.

Physical properties about Methyl 2-amino-4-(((2,5-dichlorophenyl)amino)carbonyl)benzoate are: (1)ACD/LogP: 4.75; (2)ACD/LogD (pH 5.5): 4.75; (3)ACD/LogD (pH 7.4): 4.75; (4)ACD/BCF (pH 5.5): 2390.79; (5)ACD/BCF (pH 7.4): 2390.77; (6)ACD/KOC (pH 5.5): 9119.08; (7)ACD/KOC (pH 7.4): 9119.02; (8)#H bond acceptors: 5; (9)#H bond donors: 3; (10)#Freely Rotating Bonds: 5; (11)Polar Surface Area: 49.85Å2; (12)Index of Refraction: 1.668; (13)Molar Refractivity: 86.62 cm3; (14)Molar Volume: 232.3 cm3; (15)Polarizability: 34.34x10-24cm3; (16)Surface Tension: 60.9 dyne/cm; (17)Enthalpy of Vaporization: 69.06 kJ/mol; (18)Vapour Pressure: 9.42E-08 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Clc2ccc(Cl)cc2NC(=O)c1ccc(C(=O)OC)c(N)c1
(2)InChI: InChI=1/C15H12Cl2N2O3/c1-22-15(21)10-4-2-8(6-12(10)18)14(20)19-13-7-9(16)3-5-11(13)17/h2-7H,18H2,1H3,(H,19,20)
(3)InChIKey: SQYUJKVKVFILNB-UHFFFAOYAU
(4)Std. InChI: InChI=1S/C15H12Cl2N2O3/c1-22-15(21)10-4-2-8(6-12(10)18)14(20)19-13-7-9(16)3-5-11(13)17/h2-7H,18H2,1H3,(H,19,20)
(5)Std. InChIKey: SQYUJKVKVFILNB-UHFFFAOYSA-N

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