5-(chloromethyl)-N,N-dimethylfuran-2-carboxamide

• ChemBase ID: 308852
• Molecular Formular: C8H10ClNO2
• Molecular Mass: 187.6235
• Monoisotopic Mass: 187.04000625
• SMILES: c1(C(=O)N(C)C)oc(cc1)CCl
• Canonical SMILES: ClCc1ccc(o1)C(=O)N(C)C
• InChI: InChI=1S/C8H10ClNO2/c1-10(2)8(11)7-4-3-6(5-9)12-7/h3-4H,5H2,1-2H3
• InChIKey: VKDNRIDKLNGXIB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-(chloromethyl)-N,N-dimethylfuran-2-carboxamide
• IUPAC Traditional name: 5-(chloromethyl)-N,N-dimethylfuran-2-carboxamide
• Synonyms: 5-(chloromethyl)-N,N-dimethyl-2-furamide

Database IDs

• CAS Number: 1210002-70-2
• MDL Number: MFCD13188560

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 0.8387281
• LogD (pH = 7.4): 0.8387281
• Log P: 0.8387281
• Molar Refractivity: 47.0651 cm^3
• Polarizability: 17.46924 Å^3
• Polar Surface Area: 33.45 Å^2