2-Bromo-6-methylbenzoic acid

The Benzoic acid,2-bromo-6-methyl-, with the CAS registry number 90259-31-7, is also known as Benzoic acid, 2-bromo-6-methyl-. It belongs to the product categories of Aromatic Carboxylic Acids, Amides, Anilides, Anhydrides & Salts; Carboxylic Acids; Phenyls & Phenyl-Het; Acids & Esters; Bromine Compounds; Carboxylic Acids; Phenyls & Phenyl-Het; Pharmaceutical intermediate; C8; Carbonyl Compounds. This chemical's molecular formula is C₈H₇BrO₂ and molecular weight is 215.04. Its IUPAC name is called 2-bromo-6-methylbenzoic acid. 

Physical properties of Benzoic acid,2-bromo-6-methyl-: (1)ACD/LogP: 3.06; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.325 ; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 2.034; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 2; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 1; (11)Index of Refraction: 1.595; (12)Molar Refractivity: 45.698 cm³; (13)Molar Volume: 134.423 cm³; (14)Surface Tension: 50.051 dyne/cm; (15)Density: 1.6 g/cm³; (16)Flash Point: 139.495 °C; (17)Enthalpy of Vaporization: 57.822 kJ/mol; (18)Boiling Point: 307.043 °C at 760 mmHg; (19)Vapour Pressure: 0 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
This chemical may cause damage to health and may cause inflammation to the skin or other mucous membranes. It is harmful if swallowed. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. Whenever you will contact it, please wear suitable protective clothing, gloves and eye/face protection.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CC1=C(C(=CC=C1)Br)C(=O)O
(2)InChI: InChI=1S/C8H7BrO2/c1-5-3-2-4-6(9)7(5)8(10)11/h2-4H,1H3,(H,10,11)
(3)InChIKey: ICXBPDJQFPIBSS-UHFFFAOYSA-N