4-chloro-N-cyclopropylbenzene-1-carbonimidoyl chloride

• ChemBase ID: 243752
• Molecular Formular: C10H9Cl2N
• Molecular Mass: 214.09116
• Monoisotopic Mass: 213.01120465
• SMILES: C(=N\C1CC1)(\c1ccc(cc1)Cl)/Cl
• Canonical SMILES: Cl/C(=N/C1CC1)/c1ccc(cc1)Cl
• InChI: InChI=1S/C10H9Cl2N/c11-8-3-1-7(2-4-8)10(12)13-9-5-6-9/h1-4,9H,5-6H2
• InChIKey: OJSRZEWMXHWXCW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-chloro-N-cyclopropylbenzene-1-carbonimidoyl chloride
• IUPAC Traditional name: 4-chloro-N-cyclopropylbenzenecarbonimidoyl chloride
• Synonyms: 4-chloro-N-cyclopropylbenzene-1-carbonimidoyl chloride

Database IDs

• MDL Number: MFCD22741201
• PubChem SID: 164299662
• PubChem CID: 71757337

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 3.4691348
• LogD (pH = 7.4): 3.470093
• Log P: 3.4701052
• Molar Refractivity: 56.1425 cm^3
• Polarizability: 21.395927 Å^3
• Polar Surface Area: 12.36 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 4.048

Product Information

• Purity: 95%