2-bromofuran-3-carbonyl chloride

• ChemBase ID: 76005
• Molecular Formular: C5H2BrClO2
• Molecular Mass: 209.42518
• Monoisotopic Mass: 207.89266898
• SMILES: o1c(c(cc1)C(=O)Cl)Br
• Canonical SMILES: ClC(=O)c1ccoc1Br
• InChI: InChI=1S/C5H2BrClO2/c6-4-3(5(7)8)1-2-9-4/h1-2H
• InChIKey: CPMHUPWXUHNMPF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-bromofuran-3-carbonyl chloride
• IUPAC Traditional name: 2-bromofuran-3-carbonyl chloride
• Synonyms: 2-bromo-3-furoyl chloride; 2-Bromo-3-furoyl chloride 97%

Database IDs

• CAS Number: 915707-69-6
• MDL Number: MFCD09702418
• PubChem SID: 162040923
• PubChem CID: 24229717

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 1.773512
• LogD (pH = 7.4): 1.773512
• Log P: 1.773512
• Molar Refractivity: 37.0909 cm^3
• Polarizability: 14.253829 Å^3
• Polar Surface Area: 30.21 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Corrosive

Product Information

• Purity: 97%