8-chloroimidazo[1,2-a]pyrazine

• ChemBase ID: 53408
• Molecular Formular: C6H4ClN3
• Molecular Mass: 153.56906
• Monoisotopic Mass: 153.00937482
• SMILES: c12n(ccnc1Cl)ccn2
• Canonical SMILES: Clc1nccn2c1ncc2
• InChI: InChI=1S/C6H4ClN3/c7-5-6-9-2-4-10(6)3-1-8-5/h1-4H
• InChIKey: PREWHWRWNMLCNH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 8-chloroimidazo[1,2-a]pyrazine
• IUPAC Traditional name: 8-chloroimidazo[1,2-a]pyrazine
• Synonyms: 8-Chloroimidazo[1,2-a]pyrazine

Database IDs

• CAS Number: 69214-33-1
• MDL Number: MFCD09834910
• PubChem SID: 162058171
• PubChem CID: 10261286

CALCULATED PROPERTIES

• H Donor: 0
• LogD (pH = 5.5): 0.36531776
• LogD (pH = 7.4): 0.36608902
• Log P: 0.36609885
• Molar Refractivity: 39.6456 cm^3
• Polarizability: 14.405509 Å^3
• Polar Surface Area: 30.19 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true
• H Acceptors: 2

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: >95%; 95+%