(Z)-N-cyclopropylbenzene-1-carbonimidoyl chloride

• ChemBase ID: 250348
• Molecular Formular: C10H10ClN
• Molecular Mass: 179.6461
• Monoisotopic Mass: 179.05017701
• SMILES: N(=C(\c1ccccc1)/Cl)/C1CC1
• Canonical SMILES: Cl/C(=N\C1CC1)/c1ccccc1
• InChI: InChI=1S/C10H10ClN/c11-10(12-9-6-7-9)8-4-2-1-3-5-8/h1-5,9H,6-7H2/b12-10-
• InChIKey: MFCGNGCWMJFDKJ-BENRWUELSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (Z)-N-cyclopropylbenzene-1-carbonimidoyl chloride
• IUPAC Traditional name: (Z)-N-cyclopropylbenzene-1-carbonimidoyl chloride
• Synonyms: N-cyclopropylbenzenecarboximidoyl chloride

Database IDs

• MDL Number: MFCD07345652
• PubChem SID: 164306258
• PubChem CID: 7130957

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 2.8604708
• LogD (pH = 7.4): 2.8659897
• Log P: 2.8660605
• Molar Refractivity: 51.3377 cm^3
• Polarizability: 19.511486 Å^3
• Polar Surface Area: 12.36 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 3.105

Product Information

• Purity: 95%