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CAS No.: | 243472-69-7 |
---|---|
Name: | 2-BROMO-5-PHENYLPYRAZINE |
Article Data: | 1 |
Molecular Structure: | |
Formula: | C10H7BrN2 |
Molecular Weight: | 235.083 |
Synonyms: | 2-Bromo-5-phenylpyrazine; |
Density: | 1.494 g/cm3 |
Boiling Point: | 317.79 °C at 760 mmHg |
Flash Point: | 145.995 °C |
PSA: | 25.78000 |
LogP: | 2.90610 |
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The Pyrazine, 2-bromo-5-phenyl- has CAS registry number 243472-69-7. This chemical's molecular formula is C10H7BrN2 and molecular weight is 235.08. What's more, its IUPAC name is 2-Bromo-5-phenylpyrazine.
Physical properties about Pyrazine, 2-bromo-5-phenyl- are: (1)ACD/LogP: 3.02; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3; (4)ACD/LogD (pH 7.4): 3; (5)ACD/BCF (pH 5.5): 117; (6)ACD/BCF (pH 7.4): 117; (7)ACD/KOC (pH 5.5): 1052; (8)ACD/KOC (pH 7.4): 1052; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 25.78 Å2; (13)Index of Refraction: 1.612; (14)Molar Refractivity: 54.717 cm3; (15)Molar Volume: 157.35 cm3; (16)Surface Tension: 50.482 dyne/cm; (17)Density: 1.494 g/cm3; (18)Flash Point: 145.995 °C; (19)Enthalpy of Vaporization: 53.697 kJ/mol; (20)Boiling Point: 317.79 °C at 760 mmHg; (21)Vapour Pressure: 0.001 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: c1ccc(cc1)c2cnc(cn2)Br
(2) InChI: InChI=1/C10H7BrN2/c11-10-7-12-9(6-13-10)8-4-2-1-3-5-8/h1-7H
(3) InChIKey: SLFNGAVOQANKIE-UHFFFAOYAY