5,6-dibromo-1,2-dihydroacenaphthylene

• ChemBase ID: 58446
• Molecular Formular: C12H8Br2
• Molecular Mass: 311.99992
• Monoisotopic Mass: 309.89927426
• SMILES: c12c3c(ccc1CCc2ccc3Br)Br
• Canonical SMILES: Brc1ccc2c3c1c(Br)ccc3CC2
• InChI: InChI=1S/C12H8Br2/c13-9-5-3-7-1-2-8-4-6-10(14)12(9)11(7)8/h3-6H,1-2H2
• InChIKey: UXSHNPXCELYWAW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5,6-dibromo-1,2-dihydroacenaphthylene
• IUPAC Traditional name: 5,6-dibromo-1,2-dihydroacenaphthylene
• Synonyms: 5,6-Dibromo-1,2-dihydroacenaphthylene

Database IDs

• MDL Number: MFCD00191989
• PubChem SID: 162063209
• PubChem CID: 146477

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 5.0633445
• LogD (pH = 7.4): 5.0633445
• Log P: 5.0633445
• Molar Refractivity: 66.034 cm^3
• Polarizability: 26.129484 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: false

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false