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89891-64-5

Basic Information
CAS No.: 89891-64-5
Name: Quinoxaline, 2-bromo-7-chloro-
Molecular Structure:
Molecular Structure of 89891-64-5 (Quinoxaline, 2-bromo-7-chloro-)
Formula: C8H4BrClN2
Molecular Weight: 243.49
Synonyms: 2-Bromo-7-chloro-quinoxaline;
Density: 1.763 g/cm3
Boiling Point: 312.062 °C at 760 mmHg
Flash Point: 142.53 °C
PSA: 25.78000
LogP: 3.04570
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  • 2-BROMO-7-CHLOROQUINOXALINE  CAS NO.89891-64-5

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Specification

The Quinoxaline,2-bromo-7-chloro-, with the CAS registry number 89891-64-5, is also known as 2-Bromo-7-chloroquinoxaline. This chemical's molecular formula is C8H4BrClN2 and molecular weight is 243.49. What's more, its systematic name is 2-Bromo-7-chloro-quinoxaline.

Physical properties of Quinoxaline,2-bromo-7-chloro- are: (1)ACD/LogP: 1.50; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.504; (4)ACD/LogD (pH 7.4): 1.504; (5)ACD/BCF (pH 5.5): 8.179; (6)ACD/BCF (pH 7.4): 8.179; (7)ACD/KOC (pH 5.5): 156.647; (8)ACD/KOC (pH 7.4): 156.647; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 25.78 Å2; (13)Index of Refraction: 1.691; (14)Molar Refractivity: 52.863 cm3; (15)Molar Volume: 138.132 cm3; (16)Polarizability: 20.957×10-24 cm3; (17)Surface Tension: 60.83 dyne/cm; (18)Density: 1.763 g/cm3; (19)Flash Point: 142.53 °C; (20)Enthalpy of Vaporization: 53.098 kJ/mol; (21)Boiling Point: 312.062 °C at 760 mmHg; (22)Vapour Pressure: 0.001 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1)SMILES: c1cc2c(cc1Cl)nc(cn2)Br
(2)InChI: InChI=1/C8H4BrClN2/c9-8-4-11-6-2-1-5(10)3-7(6)12-8/h1-4H
(3)InChIKey: FEXDKBKBNHCTDC-UHFFFAOYAI