2-(2-chloro-6-fluorophenyl)ethanimidamide hydrochloride

• ChemBase ID: 239619
• Molecular Formular: C8H9Cl2FN2
• Molecular Mass: 223.0748632
• Monoisotopic Mass: 222.01268188
• SMILES: c1(CC(=N)N)c(F)cccc1Cl.Cl
• Canonical SMILES: NC(=N)Cc1c(F)cccc1Cl.Cl
• InChI: InChI=1S/C8H8ClFN2.ClH/c9-6-2-1-3-7(10)5(6)4-8(11)12;/h1-3H,4H2,(H3,11,12);1H
• InChIKey: MCMHJXIGDFWYRV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(2-chloro-6-fluorophenyl)ethanimidamide hydrochloride
• IUPAC Traditional name: 2-(2-chloro-6-fluorophenyl)ethanimidamide hydrochloride
• Synonyms: 2-(2-chloro-6-fluorophenyl)ethanimidamide hydrochloride

Database IDs

• MDL Number: MFCD22378767
• PubChem SID: 164295529
• PubChem CID: 22358192

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -0.794789
• LogD (pH = 7.4): -0.79139084
• Log P: 1.6206263
• Molar Refractivity: 56.8031 cm^3
• Polarizability: 17.46348 Å^3
• Polar Surface Area: 49.87 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.36

Product Information

• Purity: 95%