4-bromofuran-2-carboxamide

• ChemBase ID: 298128
• Molecular Formular: C5H4BrNO2
• Molecular Mass: 189.99476
• Monoisotopic Mass: 188.94254037
• SMILES: c1c(coc1C(=O)N)Br
• Canonical SMILES: NC(=O)c1cc(co1)Br
• InChI: InChI=1S/C5H4BrNO2/c6-3-1-4(5(7)8)9-2-3/h1-2H,(H2,7,8)
• InChIKey: UDNSRLLRTQICFU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-bromofuran-2-carboxamide
• IUPAC Traditional name: 4-bromofuran-2-carboxamide
• Synonyms: 4-Bromofuran-2-carboxamide; 4-溴呋喃-2-甲酰胺

Database IDs

• CAS Number: 957345-95-8
• MDL Number: MFCD12755858
• PubChem SID: 180683659
• PubChem CID: 57589975

CALCULATED PROPERTIES

• Acid pKa: 13.196898
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 0.6528854
• LogD (pH = 7.4): 0.652886
• Log P: 0.6528854
• Molar Refractivity: 35.1501 cm^3
• Polarizability: 13.207786 Å^3
• Polar Surface Area: 56.23 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• European Hazard Symbols: Irritant (Xi)
• Risk Statements: 36/37/38
• Safety Statements: 26-37
• TSCA Listed: 否
• GHS Pictograms: GHS07
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305+P351+P338-P302+P352-P321-P405-P501A

Product Information

• Purity: 96%