2,6-dibromo-9,10-dihydroanthracene-9,10-dione

• ChemBase ID: 69620
• Molecular Formular: C14H6Br2O2
• Molecular Mass: 366.00424
• Monoisotopic Mass: 363.87345343
• SMILES: c1c(ccc2C(=O)c3cc(ccc3C(=O)c12)Br)Br
• Canonical SMILES: Brc1ccc2c(c1)C(=O)c1c(C2=O)cc(cc1)Br
• InChI: InChI=1S/C14H6Br2O2/c15-7-1-3-9-11(5-7)14(18)10-4-2-8(16)6-12(10)13(9)17/h1-6H
• InChIKey: JUFYHUWBLXKCJM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,6-dibromo-9,10-dihydroanthracene-9,10-dione
• IUPAC Traditional name: 2,6-dibromoanthracene-9,10-dione
• Synonyms: 2,6-Dibromoanthraquinone; 2,6-DibroMoanthracene-9,10-dione

Database IDs

• CAS Number: 633-70-5
• MDL Number: MFCD08276344
• PubChem SID: 162035346
• PubChem CID: 10959484

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: 29.0067 Å^3
• Polar Surface Area: 34.14 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95+%; 98%