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| CAS No.: | 36070-79-8 |
|---|---|
| Name: | 6-CHLORO-2-PYRAZINECARBOXAMIDE |
| Article Data: | 9 |
| Molecular Structure: | |
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| Formula: | C5H4ClN3O |
| Molecular Weight: | 157.559 |
| Synonyms: | 6-Chloro-2-pyrazinecarboxamide; |
| Density: | 1.478 g/cm3 |
| Melting Point: | 180-182℃ |
| Boiling Point: | 311.7 °C at 760 mmHg |
| Flash Point: | 142.3 °C |
| PSA: | 68.87000 |
| LogP: | 0.92920 |
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Specification
The Pyrazinecarboxamide, 6-chloro-, with the CAS registry number 36070-79-8, is also known as 6-Chloro-2-pyrazinecarboxamide. This chemical's molecular formula is C5H4ClN3O and molecular weight is 157.56. What's more, its systematic name is 6-chloropyrazine-2-carboxamide.
Physical properties of Pyrazinecarboxamide, 6-chloro- are: (1)ACD/LogP: 0.73; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.73; (4)ACD/LogD (pH 7.4): 0.73; (5)ACD/BCF (pH 5.5): 2.1; (6)ACD/BCF (pH 7.4): 2.1; (7)ACD/KOC (pH 5.5): 59.15; (8)ACD/KOC (pH 7.4): 59.15; (9)#H bond acceptors: 4; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 46.09 Å2; (13)Index of Refraction: 1.596; (14)Molar Refractivity: 36.26 cm3; (15)Molar Volume: 106.5 cm3; (16)Polarizability: 14.37×10-24cm3; (17)Surface Tension: 67.9 dyne/cm; (18)Density: 1.478 g/cm3; (19)Flash Point: 142.3 °C; (20)Enthalpy of Vaporization: 55.26 kJ/mol; (21)Boiling Point: 311.7 °C at 760 mmHg; (22)Vapour Pressure: 0.000556 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(c1nc(Cl)cnc1)N
(2)Std. InChI: InChI=1S/C5H4ClN3O/c6-4-2-8-1-3(9-4)5(7)10/h1-2H,(H2,7,10)
(3)Std. InChIKey: JEERXOCCQAMKAF-UHFFFAOYSA-N