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| CAS No.: | 87885-43-6 |
|---|---|
| Name: | 2-Chloro-3-nitropyrazine |
| Article Data: | 7 |
| Molecular Structure: | |
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| Formula: | C4H2ClN3O2 |
| Molecular Weight: | 159.532 |
| Synonyms: | 2-CHLORO-3-NITROPYRAZINE;3-Chloro-2-nitropyrazine |
| Density: | 1.601 g/cm3 |
| Boiling Point: | 283.225 °C at 760 mmHg |
| Flash Point: | 125.091 °C |
| PSA: | 71.60000 |
| LogP: | 1.56140 |
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- Total:33 Page 1 of 1 1
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Specification
This chemical is called 2-Chloro-3-nitropyrazine, and it can also be named as 2-Chloro-3-nitropyrazine. With the molecular formula of C4H2ClN3O2, its CAS registry number is 87885-43-6.
Other characteristics of the 2-Chloro-3-nitropyrazine can be summarised as followings: (1)ACD/LogP: 0.21; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0; (4)ACD/LogD (pH 7.4): 0; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 36; (8)ACD/KOC (pH 7.4): 36; (9)#H bond acceptors: 5; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 71.6 Å2; (13)Index of Refraction: 1.595; (14)Molar Refractivity: 33.876 cm3; (15)Molar Volume: 99.673 cm3; (16)Polarizability: 13.429×10-24cm3; (17)Surface Tension: 68.666 dyne/cm; (18)Density: 1.601 g/cm3; (19)Flash Point: 125.091 °C; (20)Enthalpy of Vaporization: 50.117 kJ/mol; (21)Boiling Point: 283.225 °C at 760 mmHg; (22)Vapour Pressure: 0.005 mmHg at 25°C.
You can still convert the following datas into molecular structure:
1.SMILES: O=[N+]([O-])c1nccnc1Cl
2.InChI: InChI=1/C4H2ClN3O2/c5-3-4(8(9)10)7-2-1-6-3/h1-2H
3.InChIKey: WFJAKBGXNXBMLL-UHFFFAOYAI