8-Bromoquinolin-2(1H)-one (67805-67-8)

The 8-Bromoquinolin-2(1H)-one, with cas registry number 67805-67-8, has the systematic name of 8-bromoquinolin-2(1H)-one. And its IUPAC name is 8-bromo-1H-quinolin-2-one.

Physical properties about this chemical are: (1)ACD/LogP: 1.68; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2; (4)ACD/LogD (pH 7.4): 2; (5)ACD/BCF (pH 5.5): 20; (6)ACD/BCF (pH 7.4): 20; (7)ACD/KOC (pH 5.5): 294; (8)ACD/KOC (pH 7.4): 294; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 29.1 Å²; (13)Index of Refraction: 1.63; (14)Molar Refractivity: 49.2 cm³; (15)Molar Volume: 138.272 cm³; (16)Polarizability: 19.504×10^-24cm³; (17)Surface Tension: 48.348 dyne/cm; (18)Enthalpy of Vaporization: 63.969 kJ/mol; (19)Vapour Pressure: 0 mmHg at 25°C.

You can still convert the following datas into molecular structure: 
(1)SMILES: Brc1cccc\2c1NC(=O)/C=C/2
(2)InChI: InChI=1/C9H6BrNO/c10-7-3-1-2-6-4-5-8(12)11-9(6)7/h1-5H,(H,11,12)
(3)InChIKey: HGJBIJWBYATVQY-UHFFFAOYAK
(4)Std. InChI: InChI=1S/C9H6BrNO/c10-7-3-1-2-6-4-5-8(12)11-9(6)7/h1-5H,(H,11,12)
(5)Std. InChIKey: HGJBIJWBYATVQY-UHFFFAOYSA-N