2,3-dibromo-9,10-dihydroanthracene-9,10-dione

• ChemBase ID: 798629
• Molecular Formular: C14H6Br2O2
• Molecular Mass: 366.00424
• Monoisotopic Mass: 363.87345343
• SMILES: c1ccc2C(=O)c3cc(c(cc3C(=O)c2c1)Br)Br
• Canonical SMILES: O=C1c2cc(Br)c(cc2C(=O)c2c1cccc2)Br
• InChI: InChI=1S/C14H6Br2O2/c15-11-5-9-10(6-12(11)16)14(18)8-4-2-1-3-7(8)13(9)17/h1-6H
• InChIKey: RECQBTCMRZKCQX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,3-dibromo-9,10-dihydroanthracene-9,10-dione
• IUPAC Traditional name: 2,3-dibromoanthracene-9,10-dione
• Synonyms: 2,3-dibromo-9,10-anthracenedione

Database IDs

• CAS Number: 633-68-1

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 4.456211
• LogD (pH = 7.4): 4.456211
• Log P: 4.456211
• Molar Refractivity: 76.3966 cm^3
• Polarizability: 29.012245 Å^3
• Polar Surface Area: 34.14 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%