2-bromo-5-methylfuran

• ChemBase ID: 236906
• Molecular Formular: C5H5BrO
• Molecular Mass: 160.9966
• Monoisotopic Mass: 159.95237678
• SMILES: c1(oc(cc1)C)Br
• Canonical SMILES: Cc1ccc(o1)Br
• InChI: InChI=1S/C5H5BrO/c1-4-2-3-5(6)7-4/h2-3H,1H3
• InChIKey: VWGRESZTMULPDE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-bromo-5-methylfuran
• IUPAC Traditional name: 2-bromo-5-methylfuran
• Synonyms: 2-bromo-5-methylfuran

Database IDs

• CAS Number: 123837-09-2
• MDL Number: MFCD11870159
• PubChem SID: 164292816
• PubChem CID: 638448

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 1.7821608
• LogD (pH = 7.4): 1.7821608
• Log P: 1.7821608
• Molar Refractivity: 31.1259 cm^3
• Polarizability: 11.980705 Å^3
• Polar Surface Area: 13.14 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.68

Product Information

• Purity: 95%; 98%