4-Bromo-5-methyl-2-nitroaniline (827-32-7)

The cas register number of 4-Bromo-5-methyl-2-nitroaniline is 827-32-7. The Systematic name about this chemical is 4-bromo-5-methyl-2-nitroaniline.

Physical properties about 4-Bromo-5-methyl-2-nitroaniline are: (1)ACD/LogP: 3.38; (2)ACD/LogD (pH 5.5): 3; (3)ACD/LogD (pH 7.4): 3; (4)ACD/BCF (pH 5.5): 161; (5)ACD/BCF (pH 7.4): 161; (6)ACD/KOC (pH 5.5): 1324; (7)ACD/KOC (pH 7.4): 1324; (8)#H bond acceptors: 4; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 2; (11)Polar Surface Area: 71.84Ų; (12)Index of Refraction: 1.649; (13)Molar Refractivity: 49.55 cm³; (14)Molar Volume: 136.015 cm³; (15)Polarizability: 19.643x10^-24cm³; (16)Surface Tension: 58.854 dyne/cm; (17)Enthalpy of Vaporization: 57.827 kJ/mol.

You can still convert the following datas into molecular structure:
(1)SMILES: Nc1cc(C)c(Br)cc1N(=O)=O
(2)InChI: InChI=1/C7H7BrN2O2/c1-4-2-6(9)7(10(11)12)3-5(4)8/h2-3H,9H2,1H3
(3)InChIKey: POWJQZRBSYOVIJ-UHFFFAOYAM
(4)Std. InChI: InChI=1S/C7H7BrN2O2/c1-4-2-6(9)7(10(11)12)3-5(4)8/h2-3H,9H2,1H3
(5)Std. InChIKey: POWJQZRBSYOVIJ-UHFFFAOYSA-N