| Identification | |
| Name: | 2(1H)-Quinoxalinone,6-bromo- |
| Synonyms: | 6-Bromo-2-hydroxyquinoxaline;6-Bromo-2-quinoxalinol;6-Bromoquinoxalin-2(1H)-one; |
| CAS: | 55687-34-8 |
| Molecular Formula: | C8H5 Br N2 O |
| Molecular Weight: | 0 |
| InChI: | InChI=1/C8H5BrN2O/c9-5-1-2-6-7(3-5)10-4-8(12)11-6/h1-4H,(H,11,12) |
| Molecular Structure: |  |
| Properties | |
| Density: | 1.822g/cm3 |
| Refractive index: | 1.721 |
| Specification: |
The 6-Bromoquinoxalin-2(1H)-one with cas registry number of 55687-34-8, is also called 6-Bromo-2-hydroxyquinoxaline ; 6-Bromo-2-quinoxalinol . Physical properties of 6-Bromoquinoxalin-2(1H)-one : (1)ACD/LogP: 1.82; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2; (4)ACD/LogD (pH 7.4): 1; (5)ACD/BCF (pH 5.5): 9; (6)ACD/BCF (pH 7.4): 8; (7)ACD/KOC (pH 5.5): 170; (8)ACD/KOC (pH 7.4): 142; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 41.46 Å2; (13)Index of Refraction: 1.721; (14)Molar Refractivity: 48.829 cm3; (15)Molar Volume: 123.512 cm3; (16)Polarizability: 19.357×10-24cm3; (17)Surface Tension: 59.036 dyne/cm . You can still convert the following datas into molecular structure:(1)SMILES:Brc1ccc2NC(=O)/C=N\c2c1; (2)InChI:InChI=1/C8H5BrN2O/c9-5-1-2-6-7(3-5)10-4-8(12)11-6/h1-4H,(H,11,12); (3)InChIKey:BDBWPIXISLYKEG-UHFFFAOYAX; (4)Std. InChI:InChI=1S/C8H5BrN2O/c9-5-1-2-6-7(3-5)10-4-8(12)11-6/h1-4H,(H,11,12); (5)Std. InChIKey:BDBWPIXISLYKEG-UHFFFAOYSA-N . |
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