Benzoic acid,3-amino-4-chloro-, 2-(dodecyloxy)-1-methyl-2-oxoethyl ester (63966-96-1)

The 3-Amino-4-chlorobenzoic acid 2-dodecyloxy-1-methyl-2-oxoethyl ester with its cas register number is 63966-96-1. It also can be called as Benzoic acid,3-amino-4-chloro-, 2-(dodecyloxy)-1-methyl-2-oxoethyl ester and the Systematic name about this chemical is (2-dodecoxy-1-methyl-2-oxo-ethyl) 3-amino-4-chloro-benzoate.

Physical properties about 3-Amino-4-chlorobenzoic acid 2-dodecyloxy-1-methyl-2-oxoethyl ester are: (1)ACD/LogP: 7.79; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 7.79; (4)ACD/LogD (pH 7.4): 7.79; (5)#H bond acceptors: 5; (6)#H bond donors: 2; (7)#Freely Rotating Bonds: 17; (8)Polar Surface Area: 78.62Ų; (9)Index of Refraction: 1.516; (10)Molar Refractivity: 113.75 cm³; (11)Molar Volume: 376.5 cm³; (12)Polarizability: 45.09x10^-24cm³; (13)Surface Tension: 41 dyne/cm; (14)Enthalpy of Vaporization: 80.16 kJ/mol; (15)Vapour Pressure: 3.36E-11 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: CCCCCCCCCCCCOC(=O)C(C)OC(=O)c1ccc(c(c1)N)Cl
(2)InChI: InChI=1/C22H34ClNO4/c1-3-4-5-6-7-8-9-10-11-12-15-27-21(25)17(2)28-22(26)18-13-14-19(23)20(24)16-18/h13-14,16-17H,3-12,15,24H2,1-2H3
(3)InChIKey: KVBTUIKKMVJZEF-UHFFFAOYAU
(4)Std. InChI: InChI=1S/C22H34ClNO4/c1-3-4-5-6-7-8-9-10-11-12-15-27-21(25)17(2)28-22(26)18-13-14-19(23)20(24)16-18/h13-14,16-17H,3-12,15,24H2,1-2H3
(5)Std. InChIKey: KVBTUIKKMVJZEF-UHFFFAOYSA-N