2-chloro-6-nitropyrazine

• ChemBase ID: 802296
• Molecular Formular: C4H2ClN3O2
• Molecular Mass: 159.53058
• Monoisotopic Mass: 158.983554
• SMILES: c1c(nc(cn1)[N+](=O)[O-])Cl
• Canonical SMILES: [O-][N+](=O)c1cncc(n1)Cl
• InChI: InChI=1S/C4H2ClN3O2/c5-3-1-6-2-4(7-3)8(9)10/h1-2H
• InChIKey: WJUQEURLLVJUFK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-chloro-6-nitropyrazine
• IUPAC Traditional name: 2-chloro-6-nitropyrazine
• Synonyms: 2-CHLORO-6-NITROPYRAZINE

Database IDs

• CAS Number: 195073-19-9

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 0.89656454
• LogD (pH = 7.4): 0.89656454
• Log P: 0.89656454
• Molar Refractivity: 34.2443 cm^3
• Polarizability: 12.618499 Å^3
• Polar Surface Area: 68.92 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%