2,3-bis(chloromethyl)pyrazine

• ChemBase ID: 294929
• Molecular Formular: C6H6Cl2N2
• Molecular Mass: 177.03124
• Monoisotopic Mass: 175.99080356
• SMILES: ClCc1nccnc1CCl
• Canonical SMILES: ClCc1nccnc1CCl
• InChI: InChI=1S/C6H6Cl2N2/c7-3-5-6(4-8)10-2-1-9-5/h1-2H,3-4H2
• InChIKey: ISMYJOYXMZNZFH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,3-bis(chloromethyl)pyrazine
• IUPAC Traditional name: 2,3-bis(chloromethyl)pyrazine
• Synonyms: 2,3-Bis(chloromethyl)pyrazine

Database IDs

• CAS Number: 51043-75-5
• MDL Number: MFCD15144504
• PubChem SID: 180680460
• PubChem CID: 13221026

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 0.8753284
• LogD (pH = 7.4): 0.8753289
• Log P: 0.8753289
• Molar Refractivity: 40.4336 cm^3
• Polarizability: 15.9445305 Å^3
• Polar Surface Area: 25.78 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%