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7-Bromo-2(1H)-quinoxalinone

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Name

7-Bromo-2(1H)-quinoxalinone

EINECS N/A
CAS No. 82031-32-1 Density 1.82 g/cm3
PSA N/A LogP N/A
Solubility N/A Melting Point N/A
Formula C8H5BrN2O Boiling Point N/A
Molecular Weight 225.044 Flash Point N/A
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 82031-32-1 (7-bromoquinoxalin-2(1H)-one) Hazard Symbols N/A
Synonyms

2-Quinoxalinol,7-bromo- (7CI);7-Bromo-1H-quinoxalin-2-one;7-Bromo-2(1H)-quinoxalinone;7-Bromoquinoxalin-2(1H)-one;

Article Data 27

7-Bromo-2(1H)-quinoxalinone Specification

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: 32.67Å2; (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

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