Phenol,2-bromo-6-methyl- (13319-71-6)

The 2-Bromo-6-methylphenol, with the CAS registry number 13319-71-6, is also known as 6-Bromo-o-cresol and Phenol, 2-bromo-6-methyl-. This chemical's molecular formula is C₇H₇BrO and formula weight is 187.03. What's more, its systematic name is called 2-Bromo-6-methylphenol.

Physical properties about this chemical are: (1)ACD/LogP: 2.81; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3; (4)ACD/LogD (pH 7.4): 3; (5)ACD/BCF (pH 5.5): 99; (6)ACD/BCF (pH 7.4): 95; (7)ACD/KOC (pH 5.5): 935; (8)ACD/KOC (pH 7.4): 898; (9)#H bond acceptors: 1; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 20.23 Å²; (13)Index of Refraction: 1.591; (14)Molar Refractivity: 40.65 cm³; (15)Molar Volume: 120.323 cm³; (16)Surface Tension: 44.304 dyne/cm; (17)Density: 1.554 g/cm³; (18)Flash Point: 79.532 °C; (19)Melting Point: 16 °C; (20)Enthalpy of Vaporization: 46.228 kJ/mol; (21)Boiling Point: 207.894 °C at 760 mmHg; (22)Vapour Pressure: 0.153 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Cc1cccc(Br)c1O
(2)InChI: InChI=1/C7H7BrO/c1-5-3-2-4-6(8)7(5)9/h2-4,9H,1H3
(3)InChIKey: YXZPTVOCJLCMRO-UHFFFAOYAX