5-(2-bromophenyl)furan-2-carbaldehyde

• ChemBase ID: 57976
• Molecular Formular: C11H7BrO2
• Molecular Mass: 251.07608
• Monoisotopic Mass: 249.96294146
• SMILES: c1(oc(cc1)C=O)c1c(cccc1)Br
• Canonical SMILES: O=Cc1ccc(o1)c1ccccc1Br
• InChI: InChI=1S/C11H7BrO2/c12-10-4-2-1-3-9(10)11-6-5-8(7-13)14-11/h1-7H
• InChIKey: FWPDRAIMKVWEGB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-(2-bromophenyl)furan-2-carbaldehyde
• IUPAC Traditional name: 5-(2-bromophenyl)furan-2-carbaldehyde
• Synonyms: 5-(2-Bromophenyl)-2-furaldehyde; 5-(2-Bromo-phenyl)-furan-2-carbaldehyde

Database IDs

• CAS Number: 58110-57-9
• MDL Number: MFCD01593485
• PubChem SID: 162062739
• PubChem CID: 1988450

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 3.081974
• LogD (pH = 7.4): 3.081974
• Log P: 3.081974
• Molar Refractivity: 57.6694 cm^3
• Polarizability: 22.777382 Å^3
• Polar Surface Area: 30.21 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 3.357

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95%