2-(3-chlorophenoxy)ethanimidamide

• ChemBase ID: 307288
• Molecular Formular: C8H9ClN2O
• Molecular Mass: 184.62286
• Monoisotopic Mass: 184.0403406
• SMILES: C(=N)(COc1cc(Cl)ccc1)N
• Canonical SMILES: NC(=N)COc1cccc(c1)Cl
• InChI: InChI=1S/C8H9ClN2O/c9-6-2-1-3-7(4-6)12-5-8(10)11/h1-4H,5H2,(H3,10,11)
• InChIKey: GQIZPSYLKHRSNS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 170735-26-9
• MDL Number: MFCD09055319

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -1.2474066
• LogD (pH = 7.4): -0.8768969
• Log P: 1.1604881
• Molar Refractivity: 57.8269 cm^3
• Polarizability: 18.438303 Å^3
• Polar Surface Area: 59.1 Å^2