6-Bromoquinoxalin-2(1H)-one supplier

Name
6-bromoquinoxalin-2(1H)-one
EINECS
CAS No. 55687-34-8
Article Data20
CAS DataBase
Density 1.822g/cm³
Solubility
Melting Point 298-300 °C(Solv: acetic acid (64-19-7))
Formula C₈H₅ Br N₂ O
Boiling Point
Molecular Weight 225.044
Flash Point
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 6-Bromo-2-hydroxyquinoxaline;6-Bromo-2-quinoxalinol;6-Bromoquinoxalin-2(1H)-one;
PSA 45.75000
LogP 1.68560

6-Bromoquinoxalin-2(1H)-one 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 .

Product Name

6-bromoquinoxalin-2(1H)-one

6-Bromoquinoxalin-2(1H)-one Specification

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