9-bromo-10-phenylanthracene

• ChemBase ID: 90490
• Molecular Formular: C20H13Br
• Molecular Mass: 333.22122
• Monoisotopic Mass: 332.02006242
• SMILES: Brc1c2c(c(c3ccccc13)c1ccccc1)cccc2
• Canonical SMILES: Brc1c2ccccc2c(c2c1cccc2)c1ccccc1
• InChI: InChI=1S/C20H13Br/c21-20-17-12-6-4-10-15(17)19(14-8-2-1-3-9-14)16-11-5-7-13-18(16)20/h1-13H
• InChIKey: WHGGVVHVBFMGSG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 9-bromo-10-phenylanthracene
• IUPAC Traditional name: 9-bromo-10-phenylanthracene
• Synonyms: 9-Bromo-10-phenylanthracene

Database IDs

• CAS Number: 23674-20-6
• PubChem SID: 162077290
• PubChem CID: 4155836

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 6.3681774
• LogD (pH = 7.4): 6.3681774
• Log P: 6.3681774
• Molar Refractivity: 91.7174 cm^3
• Polarizability: 39.054035 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: false

PROPERTIES

Safety Information

• Storage Warning: Harmful/Irritant

Product Information

• Purity: 98%