Benzoic acid,2-bromo-6-nitro- (38876-67-4)

The 2-Bromo-6-nitrobenzoic acid with its cas register number is 38876-67-4. It also can be called as Benzoic acid,2-bromo-6-nitro- and the Systematic name about this chemical is 2-bromo-6-nitrobenzoic acid.

Physical properties about 2-Bromo-6-nitrobenzoic acid are: (1)ACD/LogP: 2.22 ; (2)ACD/LogD (pH 5.5): -1; (3)ACD/LogD (pH 7.4): -2; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 1; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 5; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 2; (11)Polar Surface Area: 83.12Ų; (12)Index of Refraction: 1.65; (13)Molar Refractivity: 47.419 cm3; (14)Molar Volume: 129.989 cm3; (15)Polarizability: 18.798 10-24cm3; (16)Surface Tension: 69.543 dyne/cm; (17)Enthalpy of Vaporization: 64.524 kJ/mol.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)c1c(cccc1Br)[N+]([O-])=O
(2)InChI: InChI=1/C7H4BrNO4/c8-4-2-1-3-5(9(12)13)6(4)7(10)11/h1-3H,(H,10,11)
(3)InChIKey: KWNBOCMNFKJJCK-UHFFFAOYAZ
(4)Std. InChI: InChI=1S/C7H4BrNO4/c8-4-2-1-3-5(9(12)13)6(4)7(10)11/h1-3H,(H,10,11)
(5)Std. InChIKey: KWNBOCMNFKJJCK-UHFFFAOYSA-N