5-bromofuran-2-sulfonyl chloride

• ChemBase ID: 238296
• Molecular Formular: C4H2BrClO3S
• Molecular Mass: 245.47888
• Monoisotopic Mass: 243.8596546
• SMILES: S(=O)(=O)(c1oc(cc1)Br)Cl
• Canonical SMILES: Brc1ccc(o1)S(=O)(=O)Cl
• InChI: InChI=1S/C4H2BrClO3S/c5-3-1-2-4(9-3)10(6,7)8/h1-2H
• InChIKey: AUKOCFUBKYOEEL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-bromofuran-2-sulfonyl chloride
• IUPAC Traditional name: 5-bromofuran-2-sulfonyl chloride
• Synonyms: 5-bromofuran-2-sulfonyl chloride

Database IDs

• MDL Number: MFCD22391983
• PubChem SID: 164294206
• PubChem CID: 71695374

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 1.6181935
• LogD (pH = 7.4): 1.6181935
• Log P: 1.6181935
• Molar Refractivity: 39.4237 cm^3
• Polarizability: 16.667744 Å^3
• Polar Surface Area: 47.28 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.209

Product Information

• Purity: 95%