2(1H)-Quinoxalinone,7-bromo- (82031-32-1)

The cas register number of 7-Bromo-2(1H)-quinoxalinone is 82031-32-1. It also can be called as 2(1H)-Quinoxalinone,7-bromo- and the Systematic name about this chemical is 7-bromoquinoxalin-2(1H)-one.

Physical properties about 7-Bromo-2(1H)-quinoxalinone are: (1)ACD/LogP: 2.01; (2)ACD/LogD (pH 5.5): 2.01; (3)ACD/LogD (pH 7.4): 1.95; (4)ACD/BCF (pH 5.5): 19.69; (5)ACD/BCF (pH 7.4): 17.22; (6)ACD/KOC (pH 5.5): 293.67; (7)ACD/KOC (pH 7.4): 256.73; (8)#H bond acceptors: 3; (9)#H bond donors: 1; (10)Polar Surface Area: 32.67Ų; (11)Index of Refraction: 1.72; (12)Molar Refractivity: 48.82 cm³; (13)Molar Volume: 123.5 cm³; (14)Polarizability: 19.35x10^-24cm³; (15)Surface Tension: 59 dyne/cm.

You can still convert the following datas into molecular structure:
(1)SMILES: Brc2ccc1\N=C/C(=O)Nc1c2
(2)InChI: InChI=1/C8H5BrN2O/c9-5-1-2-6-7(3-5)11-8(12)4-10-6/h1-4H,(H,11,12)
(3)InChIKey: PXVQWJPOMIRXQL-UHFFFAOYAR
(4)Std. InChI: InChI=1S/C8H5BrN2O/c9-5-1-2-6-7(3-5)11-8(12)4-10-6/h1-4H,(H,11,12)
(5)Std. InChIKey: PXVQWJPOMIRXQL-UHFFFAOYSA-N