2-Amino-3-bromo-4-methylbenzoic acid (320740-35-0)

 The 2-Amino-3-bromo-4-methylbenzoic acid with cas registry number of 320740-35-0, has the systematic name of 2-amino-3-bromo-4-methyl-benzoic acid. And it is also named benzoic acid, 2-amino-3-bromo-4-methyl-.

Physical properties about this chemical are: (1)ACD/LogP: 3.15; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.961; (4)ACD/LogD (pH 7.4): 0.345; (5)ACD/BCF (pH 5.5): 9.441; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 79.777; (8)ACD/KOC (pH 7.4): 1.932; (9)#H bond acceptors: 3; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 63.32 Å²; (13)Index of Refraction: 1.651; (14)Molar Refractivity: 49.934 cm³; (15)Molar Volume: 136.703 cm³; (16)Polarizability: 19.795×10^-24cm³; (17)Surface Tension: 61.856 dyne/cm; (18)Enthalpy of Vaporization: 64.005 kJ/mol; (19)Vapour Pressure: 0 mmHg at 25°C.

You can still convert the following datas into molecular structure: 
(1)SMILES: Cc1ccc(c(c1Br)N)C(=O)O;
(2)InChI: InChI=1/C8H8BrNO2/c1-4-2-3-5(8(11)12)7(10)6(4)9/h2-3H,10H2,1H3,(H,11,12);
(3)InChIKey: FRMCBXHLZRNCKS-UHFFFAOYAU;
(4)Std. InChI: InChI=1S/C8H8BrNO2/c1-4-2-3-5(8(11)12)7(10)6(4)9/h2-3H,10H2,1H3,(H,11,12);
(5)Std. InChIKey: FRMCBXHLZRNCKS-UHFFFAOYSA-N