(Z)-N-cyclopropylfuran-2-carbonimidoyl chloride

• ChemBase ID: 250874
• Molecular Formular: C8H8ClNO
• Molecular Mass: 169.60822
• Monoisotopic Mass: 169.02944156
• SMILES: C(=N\C1CC1)(/c1occc1)\Cl
• Canonical SMILES: Cl/C(=N\C1CC1)/c1ccco1
• InChI: InChI=1S/C8H8ClNO/c9-8(10-6-3-4-6)7-2-1-5-11-7/h1-2,5-6H,3-4H2/b10-8-
• InChIKey: RNVUOZYVKQKESC-NTMALXAHSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (Z)-N-cyclopropylfuran-2-carbonimidoyl chloride
• IUPAC Traditional name: (Z)-N-cyclopropylfuran-2-carbonimidoyl chloride
• Synonyms: N-cyclopropylfuran-2-carboximidoyl chloride

Database IDs

• MDL Number: MFCD08271805
• PubChem SID: 164306784
• PubChem CID: 7131595

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 1.9262918
• LogD (pH = 7.4): 1.926307
• Log P: 1.9263071
• Molar Refractivity: 43.7286 cm^3
• Polarizability: 16.430353 Å^3
• Polar Surface Area: 25.5 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.281

Product Information

• Purity: 95%