2,6-dibromoanthracene

• ChemBase ID: 289163
• Molecular Formular: C14H8Br2
• Molecular Mass: 336.02132
• Monoisotopic Mass: 333.89927426
• SMILES: Brc1cc2cc3ccc(Br)cc3cc2cc1
• Canonical SMILES: Brc1ccc2c(c1)cc1c(c2)cc(cc1)Br
• InChI: InChI=1S/C14H8Br2/c15-13-3-1-9-5-12-8-14(16)4-2-10(12)6-11(9)7-13/h1-8H
• InChIKey: BPRGLVVFWRNXEP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,6-dibromoanthracene
• IUPAC Traditional name: 2,6-dibromoanthracene
• Synonyms: 2,6-Dibromoanthracene

Database IDs

• CAS Number: 186517-01-1
• PubChem SID: 180674694
• PubChem CID: 22058906

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: 30.678581 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: false

PROPERTIES

Product Information

• Purity: 95+%; 98%