2-Amino-4-bromobenzoic acid

The 2-Amino-4-bromobenzoic acid, with CAS registry number 20776-50-5, belongs to the following product categories: (1)Benzene derivative; (2)Multisubstituted Benzene; (3)Aromatic Carboxylic Acids, Amides, Anilides, Anhydrides & Salts; (4)Phenyls & Phenyl-Het; (5)Carboxylic Acids; (6)Aromatic Amino Acids; (7)Peptide Synthesis; (8)Unnatural Amino Acid Derivatives; (9)Benzoic acid series. It has the systematic name of 2-amino-4-bromobenzoic acid. This chemical is a kind of slight yellow to white powder. And the chemical formula of this chemical is C₇H₆BrNO₂.

Physical properties of 2-Amino-4-bromobenzoic acid: (1)ACD/LogP: 2.57; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.37; (4)ACD/LogD (pH 7.4): -0.24; (5)ACD/BCF (pH 5.5): 3.32; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 37.42; (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: 1.672; (14)Molar Refractivity: 45.1 cm³; (15)Molar Volume: 120.4 cm³; (16)Polarizability: 17.88×10^-24cm³; (17)Surface Tension: 67.9 dyne/cm; (18)Density: 1.793 g/cm³; (19)Flash Point: 166.9 °C; (20)Enthalpy of Vaporization: 63.02 kJ/mol; (21)Boiling Point: 352.4 °C at 760 mmHg; (22)Vapour Pressure: 1.43E-05 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
The 2-Amino-4-bromobenzoic acid is harmful if swallowed. When use it, wear suitable protective clothing, gloves and eye/face protection.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)c1c(cc(Br)cc1)N
(2)InChI: InChI=1/C7H6BrNO2/c8-4-1-2-5(7(10)11)6(9)3-4/h1-3H,9H2,(H,10,11)
(3)InChIKey: BNNICQAVXPXQAH-UHFFFAOYAL
(4)Std. InChI: InChI=1S/C7H6BrNO2/c8-4-1-2-5(7(10)11)6(9)3-4/h1-3H,9H2,(H,10,11)
(5)Std. InChIKey: BNNICQAVXPXQAH-UHFFFAOYSA-N