2(1H)-Quinolinone,6-bromo-4-methyl- (89446-19-5)

The 6-Bromo-4-methyl-2(1H)-quinolinone with cas registry number of 89446-19-5, has the systematic name of 6-bromo-4-methylquinolin-2(1H)-one. It is also called 2(1H)-quinolinone, 6-bromo-4-methyl-; 2-quinolinol, 6-bromo-4-methyl-.

Physical properties of 6-Bromo-4-methyl-2(1H)-quinolinone: (1)ACD/LogP: 3.08; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.08; (4)ACD/LogD (pH 7.4): 3.08; (5)ACD/BCF (pH 5.5): 128.6; (6)ACD/BCF (pH 7.4): 128.55; (7)ACD/KOC (pH 5.5): 1125.63; (8)ACD/KOC (pH 7.4): 1125.18; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 20.31 Å²; (13)Index of Refraction: 1.606; (14)Molar Refractivity: 53.9 cm³; (15)Molar Volume: 156.2 cm³; (16)Polarizability: 21.36×10^-24cm³; (17)Surface Tension: 43.3 dyne/cm; (18)Enthalpy of Vaporization: 64.24 kJ/mol; (19)Vapour Pressure: 2.26E-06 mmHg at 25°C.

You can still convert the following datas into molecular structure: 
(1)SMILES: Brc2ccc1c(\C(=C/C(=O)N1)C)c2;
(2)InChI: InChI=1/C10H8BrNO/c1-6-4-10(13)12-9-3-2-7(11)5-8(6)9/h2-5H,1H3,(H,12,13);
(3)InChIKey: NOQMJGOVUYZKIA-UHFFFAOYAN;
(4)Std. InChI: InChI=1S/C10H8BrNO/c1-6-4-10(13)12-9-3-2-7(11)5-8(6)9/h2-5H,1H3,(H,12,13);
(5)Std. InChIKey: NOQMJGOVUYZKIA-UHFFFAOYSA-N.