(E)-N-methylfuran-2-carbonimidoyl chloride

• ChemBase ID: 250351
• Molecular Formular: C6H6ClNO
• Molecular Mass: 143.57094
• Monoisotopic Mass: 143.0137915
• SMILES: c1(/C(=N\C)/Cl)occc1
• Canonical SMILES: C/N=C(\c1ccco1)/Cl
• InChI: InChI=1S/C6H6ClNO/c1-8-6(7)5-3-2-4-9-5/h2-4H,1H3/b8-6+
• InChIKey: UHTJFEFITNPRJZ-SOFGYWHQSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (E)-N-methylfuran-2-carbonimidoyl chloride
• IUPAC Traditional name: (E)-N-methylfuran-2-carbonimidoyl chloride
• Synonyms: N-methylfuran-2-carboximidoyl chloride

Database IDs

• CAS Number: 6521-33-1
• MDL Number: MFCD07345653
• PubChem SID: 164306261
• PubChem CID: 7130961

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 1.4606816
• LogD (pH = 7.4): 1.4607419
• Log P: 1.4607426
• Molar Refractivity: 36.5174 cm^3
• Polarizability: 13.487681 Å^3
• Polar Surface Area: 25.5 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 215 - 220°C
• Hydrophobicity(logP): 1.927

Product Information

• Purity: 95%