Molecular Structure of 5-chloropyrazinamide (CAS NO.21279-64-1):
IUPAC Name: 5-chloropyrazine-2-carboxamide
Empirical Formula: C5H4ClN3O
Molecular Weight: 157.5578
H bond acceptors: 4
H bond donors: 2
Freely Rotating Bonds: 1
Polar Surface Area: 46.09Å2
Molar Refractivity: 36.26 cm3
Molar Volume: 106.5 cm3
Surface Tension: 67.9 dyne/cm
Index of Refraction: 1.596
Surface Tension: 67.9 dyne/cm
Density: 1.478 g/cm3
Flash Point: 154.2 °C
Enthalpy of Vaporization: 57.39 kJ/mol
Boiling Point: 331.3 °C at 760 mmHg
Vapour Pressure: 0.000157 mmHg at 25°C
InChI
InChI=1/C5H4ClN3O/c6-4-2-8-3(1-9-4)5(7)10/h1-2H,(H2,7,10)
Smiles
c1nc(C(N)=O)cnc1Cl
5-chloropyrazinamide , its cas register number is 21279-64-1. It also can be called 2-Carboxamido-5-chloropyrazine ; 5-Chloro-2-pyrazinecarboxamide ; 5-chloro-pyrazinamide ; Pyrazinecarboxamide, 5-chloro- ; 5-Chloro-PZA .
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