Molecule structure of Pyrazine, 2-chloro-3-methyl- (CAS NO.95-58-9):
IUPAC Name: 2-Chloro-3-methylpyrazine
Molecular Weight: 128.5596 g/mol
Molecular Formula: C5H5ClN2
Density: 1.234 g/cm3
Boiling Point: 169.5 °C at 760 mmHg
Flash Point: 70.2 °C
Index of Refraction: 1.529
Molar Refractivity: 32.15 cm3
Molar Volume: 104.1 cm3
Polarizability: 12.74×10-24 cm3
Surface Tension: 44.6 dyne/cm
Enthalpy of Vaporization: 38.93 kJ/mol
Vapour Pressure: 2.04 mmHg at 25 °C
XLogP3-AA: 1.1
H-Bond Acceptor: 2
Exact Mass: 128.014126
MonoIsotopic Mass: 128.014126
Topological Polar Surface Area: 25.8
Heavy Atom Count: 8
Complexity: 76.8
Canonical SMILES: CC1=NC=CN=C1Cl
InChI: InChI=1S/C5H5ClN2/c1-4-5(6)8-3-2-7-4/h2-3H,1H3
InChIKey: WZHWPZQQPWKEAV-UHFFFAOYSA-N
EINECS: 202-434-8
Product Categories of Pyrazine, 2-chloro-3-methyl- (CAS NO.95-58-9): Piperazine series;Pyrazines
Pyrazine, 2-chloro-3-methyl- (CAS NO.95-58-9) is also named as 2-Chloro-3-methylpyrazine ; 2-Methyl-3-chloropyrazine ; NSC 41093 .
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