2,7-dibromo-9,10-dihydrophenanthrene-9,10-dione

• ChemBase ID: 294159
• Molecular Formular: C14H6Br2O2
• Molecular Mass: 366.00424
• Monoisotopic Mass: 363.87345343
• SMILES: O=C1c2c(ccc(Br)c2)c2ccc(Br)cc2C1=O
• Canonical SMILES: Brc1ccc2c(c1)C(=O)C(=O)c1c2ccc(c1)Br
• InChI: InChI=1S/C14H6Br2O2/c15-7-1-3-9-10-4-2-8(16)6-12(10)14(18)13(17)11(9)5-7/h1-6H
• InChIKey: LTZIIBSPYWTOQV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,7-dibromo-9,10-dihydrophenanthrene-9,10-dione
• IUPAC Traditional name: 2,7-dibromophenanthrene-9,10-dione
• Synonyms: 2,7-Dibromophenanthrene-9,10-dione

Database IDs

• CAS Number: 84405-44-7
• MDL Number: MFCD03931078
• PubChem SID: 180679690
• PubChem CID: 265843

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: 29.93072 Å^3
• Polar Surface Area: 34.14 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%; 97%