Molecular Structure of Methyl 3-chloro-2-pyrazinecarboxylate (CAS NO.27825-21-4):
IUPAC Name:methyl 3-chloropyrazine-2-carboxylate
CAS: 27825-21-4
Empirical Formula: C6H5ClN2O2
Molecular Weight: 172.5691
ACD/LogP: 0.29
of Rule of 5 Violations: 0
ACD/LogD (pH 5.5): 0.29
ACD/LogD (pH 7.4): 0.29
ACD/BCF (pH 5.5): 1
ACD/BCF (pH 7.4): 1
ACD/KOC (pH 5.5): 34.09
ACD/KOC (pH 7.4): 34.09
H bond acceptors: 4
H bond donors: 0
Freely Rotating Bonds: 2
Polar Surface Area: 52.08 Å2
Molar Refractivity: 39.1 cm3
Molar Volume: 125.7 cm3
Surface Tension: 51.1 dyne/cm
Index of Refraction: 1.534
Surface Tension: 51.1 dyne/cm
Density: 1.372 g/cm3
Flash Point: 104.8 °C
Enthalpy of Vaporization: 48.69 kJ/mol
Boiling Point: 249.7 °C at 760 mmHg
Vapour Pressure: 0.0226 mmHg at 25°C
Product Categories: pharmacetical
Methyl 3-chloro-2-pyrazinecarboxylate , its cas register number is 27825-21-4. It also can be called 3-chloro-pyrazine-2-carboxylic acid methyl ester ; Methyl 3-chloropyrazine-2-car boxylate .
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