Benzoic acid,6-amino-2-bromo-3-methyl- (147149-85-7)

The 2-Amino-6-bromo-5-methylbenzoic acid with the CAS number 147149-85-7 is also called Benzoic acid,6-amino-2-bromo-3-methyl-. The systematic name is 6-amino-2-bromo-3-methylbenzoic acid. Its molecular formula is C₈H₈BrNO₂. This chemical is irritant. While using this chemical, you should be very cautious.

The properties of the 2-Amino-6-bromo-5-methylbenzoic acid are: (1)ACD/LogP: 2.32; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.16; (4)ACD/LogD (pH 7.4): -0.79; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 3.04; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 3; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 29.54 Å²; (13)Index of Refraction: 1.651; (14)Molar Refractivity: 49.93 cm³; (15)Molar Volume: 136.7 cm³; (16)Polarizability: 19.79×10^-24cm³; (17)Surface Tension: 61.8 dyne/cm; (18)Enthalpy of Vaporization: 63.16 kJ/mol; (19)Vapour Pressure: 1.31×10^-5 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Brc1c(c(N)ccc1C)C(=O)O
(2)InChI: InChI=1/C8H8BrNO2/c1-4-2-3-5(10)6(7(4)9)8(11)12/h2-3H,10H2,1H3,(H,11,12)
(3)InChIKey: DESUDZIADGQZIJ-UHFFFAOYAV