2-bromo-1-(9H-fluoren-2-yl)ethan-1-one

• ChemBase ID: 260196
• Molecular Formular: C15H11BrO
• Molecular Mass: 287.15124
• Monoisotopic Mass: 285.99932697
• SMILES: c12c(c3c(C1)cccc3)ccc(c2)C(=O)CBr
• Canonical SMILES: BrCC(=O)c1ccc2c(c1)Cc1c2cccc1
• InChI: InChI=1S/C15H11BrO/c16-9-15(17)11-5-6-14-12(8-11)7-10-3-1-2-4-13(10)14/h1-6,8H,7,9H2
• InChIKey: GRFJJWWZDMCMGT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-bromo-1-(9H-fluoren-2-yl)ethan-1-one
• IUPAC Traditional name: 2-bromo-1-(9H-fluoren-2-yl)ethanone
• Synonyms: 2-bromo-1-(9H-fluoren-2-yl)ethan-1-one

Database IDs

• MDL Number: MFCD02656567
• PubChem SID: 164316106
• PubChem CID: 10979047

CALCULATED PROPERTIES

• Acid pKa: 15.478939
• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 4.019506
• LogD (pH = 7.4): 4.019506
• Log P: 4.019506
• Molar Refractivity: 73.0129 cm^3
• Polarizability: 28.59581 Å^3
• Polar Surface Area: 17.07 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 141 - 143°C
• Hydrophobicity(logP): 3.767

Product Information

• Purity: 95%