2-bromo-1,10-phenanthroline

• ChemBase ID: 294209
• Molecular Formular: C12H7BrN2
• Molecular Mass: 259.10138
• Monoisotopic Mass: 257.97926023
• SMILES: Brc1nc2c(cc1)ccc1cccnc21
• Canonical SMILES: Brc1ccc2c(n1)c1ncccc1cc2
• InChI: InChI=1S/C12H7BrN2/c13-10-6-5-9-4-3-8-2-1-7-14-11(8)12(9)15-10/h1-7H
• InChIKey: ZRJUDAZGVGIDLP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-bromo-1,10-phenanthroline
• IUPAC Traditional name: 2-bromo-1,10-phenanthroline
• Synonyms: 2-Bromo-1,10-phenanthroline

Database IDs

• CAS Number: 22426-14-8
• MDL Number: MFCD13152102
• PubChem SID: 180679740
• PubChem CID: 12830247

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 3.2569792
• LogD (pH = 7.4): 3.2627556
• Log P: 3.2628298
• Molar Refractivity: 62.3656 cm^3
• Polarizability: 26.262686 Å^3
• Polar Surface Area: 25.78 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%