2-bromotriphenylene

• ChemBase ID: 294553
• Molecular Formular: C18H11Br
• Molecular Mass: 307.18394
• Monoisotopic Mass: 306.00441235
• SMILES: Brc1ccc2c3ccccc3c3ccccc3c2c1
• Canonical SMILES: Brc1ccc2c(c1)c1ccccc1c1c2cccc1
• InChI: InChI=1S/C18H11Br/c19-12-9-10-17-15-7-2-1-5-13(15)14-6-3-4-8-16(14)18(17)11-12/h1-11H
• InChIKey: GEDOYYDMCZUHNW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-bromotriphenylene
• IUPAC Traditional name: 2-bromotriphenylene
• Synonyms: 2-Bromotriphenylene

Database IDs

• CAS Number: 19111-87-6
• MDL Number: MFCD16659043
• PubChem SID: 180680084
• PubChem CID: 18381174

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 5.7104287
• LogD (pH = 7.4): 5.7104287
• Log P: 5.7104287
• Molar Refractivity: 83.0314 cm^3
• Polarizability: 35.582767 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: false

PROPERTIES

Product Information

• Purity: 95+%