Ethanone,1-(4-bromo-2-hydroxyphenyl)- (30186-18-6)

The 4'-Bromo-2'-hydroxyacetophenone with the CAS number 30186-18-6 is also called Ethanone,1-(4-bromo-2-hydroxyphenyl)-. The IUPAC name is 1-(4-bromo-2-hydroxyphenyl)ethanone. Its molecular formula is C₈H₇BrO₂. The product category is Aromatic Acetophenones & Derivatives (substituted). This chemical is irritant. While using this chemical, you should be very cautious.

The properties of the chemical are: (1)ACD/LogP: 2.53; (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): 49; (6)ACD/BCF (pH 7.4): 49; (7)ACD/KOC (pH 5.5): 567; (8)ACD/KOC (pH 7.4): 558; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 37.3 Å²; (13)Index of Refraction: 1.592; (14)Molar Refractivity: 45.853 cm³; (15)Molar Volume: 135.578 cm³; (16)Polarizability: 18.177×10^-24cm³; (17)Surface Tension: 48.596 dyne/cm; (18)Enthalpy of Vaporization: 54.81 kJ/mol; (19)Vapour Pressure: 0.001 mmHg at 25°C.

Uses: This chemical can react with hydrogen cyanide; copper(1+) salt to prepare 3-hydroxy-4-acetylbenzoic acid. This reaction needs solvent dimethylformamide at heating condition. The reaction time is 3.0 hours. The yield is 79%.

You can still convert the following datas into molecular structure:
(1)SMILES: CC(=O)c1ccc(cc1O)Br
(2)InChI: InChI=1/C8H7BrO2/c1-5(10)7-3-2-6(9)4-8(7)11/h2-4,11H,1H3
(3)InChIKey: LQCMMXGKEGWUIM-UHFFFAOYAN