2-(3-chlorophenyl)ethanimidamide

• ChemBase ID: 308101
• Molecular Formular: C8H9ClN2
• Molecular Mass: 168.62346
• Monoisotopic Mass: 168.04542598
• SMILES: C(=N)(Cc1cc(Cl)ccc1)N
• Canonical SMILES: NC(=N)Cc1cccc(c1)Cl
• InChI: InChI=1S/C8H9ClN2/c9-7-3-1-2-6(4-7)5-8(10)11/h1-4H,5H2,(H3,10,11)
• InChIKey: QJIUAYOJLKQNJV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(3-chlorophenyl)ethanimidamide
• IUPAC Traditional name: 2-(3-chlorophenyl)ethanimidamide
• Synonyms: 2-(3-chlorophenyl)ethanimidamide

Database IDs

• CAS Number: 55154-89-7
• MDL Number: MFCD01176498

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -0.9375141
• LogD (pH = 7.4): -0.93592525
• Log P: 1.4779243
• Molar Refractivity: 56.5867 cm^3
• Polarizability: 17.733217 Å^3
• Polar Surface Area: 49.87 Å^2