5-(dibromomethyl)quinoxaline

• ChemBase ID: 797157
• Molecular Formular: C9H6Br2N2
• Molecular Mass: 301.96534
• Monoisotopic Mass: 299.8897722
• SMILES: c1cc2c(c(c1)C(Br)Br)nccn2
• Canonical SMILES: BrC(c1cccc2c1nccn2)Br
• InChI: InChI=1S/C9H6Br2N2/c10-9(11)6-2-1-3-7-8(6)13-5-4-12-7/h1-5,9H
• InChIKey: UVNTZZRPOFREKY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-(dibromomethyl)quinoxaline
• IUPAC Traditional name: 5-(dibromomethyl)quinoxaline
• Synonyms: 5-(DibroMoMethyl)quinoxaline

Database IDs

• CAS Number: 958994-25-7

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.1186128
• LogD (pH = 7.4): 2.118648
• Log P: 2.1186485
• Molar Refractivity: 58.0046 cm^3
• Polarizability: 23.384579 Å^3
• Polar Surface Area: 25.78 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%