6-bromocinnoline

• ChemBase ID: 294561
• Molecular Formular: C8H5BrN2
• Molecular Mass: 209.0427
• Monoisotopic Mass: 207.96361017
• SMILES: Brc1cc2ccnnc2cc1
• Canonical SMILES: Brc1ccc2c(c1)ccnn2
• InChI: InChI=1S/C8H5BrN2/c9-7-1-2-8-6(5-7)3-4-10-11-8/h1-5H
• InChIKey: NUILLMMTUCMJNA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-bromocinnoline
• IUPAC Traditional name: 6-bromocinnoline
• Synonyms: 6-Bromocinnoline

Database IDs

• CAS Number: 318276-72-1
• MDL Number: MFCD09834644
• PubChem SID: 180680092
• PubChem CID: 11229560

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 1.9192381
• LogD (pH = 7.4): 1.919875
• Log P: 1.9198831
• Molar Refractivity: 47.4654 cm^3
• Polarizability: 18.766876 Å^3
• Polar Surface Area: 25.78 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%