5-(2-bromo-4-methylphenyl)furan-2-carbaldehyde

• ChemBase ID: 311235
• Molecular Formular: C12H9BrO2
• Molecular Mass: 265.10266
• Monoisotopic Mass: 263.97859153
• SMILES: c1(c2c(cc(cc2)C)Br)oc(cc1)C=O
• Canonical SMILES: O=Cc1ccc(o1)c1ccc(cc1Br)C
• InChI: InChI=1S/C12H9BrO2/c1-8-2-4-10(11(13)6-8)12-5-3-9(7-14)15-12/h2-7H,1H3
• InChIKey: JRJUEVPOZMWWNK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-(2-bromo-4-methylphenyl)furan-2-carbaldehyde
• IUPAC Traditional name: 5-(2-bromo-4-methylphenyl)furan-2-carbaldehyde
• Synonyms: 5-(2-bromo-4-methylphenyl)-2-furaldehyde

Database IDs

• CAS Number: 359810-48-3
• MDL Number: MFCD01590312

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 3.5953953
• LogD (pH = 7.4): 3.5953953
• Log P: 3.5953953
• Molar Refractivity: 62.7106 cm^3
• Polarizability: 24.52974 Å^3
• Polar Surface Area: 30.21 Å^2