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CAS No.: | 195073-19-9 |
---|---|
Name: | 2-Chloro-6-nitropyrazine |
Molecular Structure: | |
Formula: | C4H2ClN3O2 |
Molecular Weight: | 159.53178 |
Synonyms: | 2-CHLORO-6-NITROPYRAZINE |
Density: | 1.601g/cm3 |
Boiling Point: | 266.737 °C at 760 mmHg |
Flash Point: | 115.119 °C |
PSA: | 71.60000 |
LogP: | 1.56140 |
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The CAS register number of 2-Chloro-6-nitropyrazine is 195073-19-9. The molecular formula about this chemical is C4H2ClN3O2 and the molecular weight is 159.53178.
Physical properties about 2-Chloro-6-nitropyrazine are: (1)ACD/LogP: 0.23; (2)ACD/LogD (pH 5.5): 0.233; (3)ACD/LogD (pH 7.4): 0.233; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 31.893; (7)ACD/KOC (pH 7.4): 31.893; (8)#H bond acceptors: 5; (9)#Freely Rotating Bonds: 1; (10)Polar Surface Area: 71.6 Å2; (11)Index of Refraction: 1.595; (12)Molar Refractivity: 33.876 cm3; (13)Molar Volume: 99.673 cm3; (14)Polarizability: 13.429x10-24cm3; (15)Surface Tension: 68.666 dyne/cm; (16)Density: 1.601 g/cm3; (17)Flash Point: 115.119 °C; (18)Enthalpy of Vaporization: 48.439 kJ/mol; (19)Boiling Point: 266.737 °C at 760 mmHg; (20)Vapour Pressure: 0.014 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1)SMILES: c1c(nc(cn1)Cl)[N+](=O)[O-]
(2)InChI: InChI=1/C4H2ClN3O2/c5-3-1-6-2-4(7-3)8(9)10/h1-2H
(3)InChIKey: WJUQEURLLVJUFK-UHFFFAOYAA
(4)Std. InChI: InChI=1S/C4H2ClN3O2/c5-3-1-6-2-4(7-3)8(9)10/h1-2H
(5)Std. InChIKey: WJUQEURLLVJUFK-UHFFFAOYSA-N