1,5-dibromoanthracene

• ChemBase ID: 798623
• Molecular Formular: C14H8Br2
• Molecular Mass: 336.02132
• Monoisotopic Mass: 333.89927426
• SMILES: c1cc(c2cc3cccc(c3cc2c1)Br)Br
• Canonical SMILES: Brc1cccc2c1cc1cccc(c1c2)Br
• InChI: InChI=1S/C14H8Br2/c15-13-5-1-3-9-7-12-10(8-11(9)13)4-2-6-14(12)16/h1-8H
• InChIKey: DIMYVOCPPKNNPF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,5-dibromoanthracene
• IUPAC Traditional name: 1,5-dibromoanthracene
• Synonyms: 1,5-dibromoanthracene

Database IDs

• CAS Number: 3278-82-8

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 5.4897046
• LogD (pH = 7.4): 5.4897046
• Log P: 5.4897046
• Molar Refractivity: 74.204 cm^3
• Polarizability: 30.686062 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: false

PROPERTIES

Product Information

• Purity: 98%