3,4-difluorobenzene-1-carboximidamide

• ChemBase ID: 308974
• Molecular Formular: C7H6F2N2
• Molecular Mass: 156.1327464
• Monoisotopic Mass: 156.04990464
• SMILES: C(=N)(c1cc(c(cc1)F)F)N
• Canonical SMILES: NC(=N)c1ccc(c(c1)F)F
• InChI: InChI=1S/C7H6F2N2/c8-5-2-1-4(7(10)11)3-6(5)9/h1-3H,(H3,10,11)
• InChIKey: FNIWQASUVMMYGX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3,4-difluorobenzene-1-carboximidamide
• IUPAC Traditional name: 3,4-difluorobenzenecarboximidamide
• Synonyms: 3,4-difluorobenzenecarboximidamide

Database IDs

• CAS Number: 114040-50-5
• MDL Number: MFCD05662980

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -1.2359347
• LogD (pH = 7.4): -1.2052348
• Log P: 1.1791182
• Molar Refractivity: 48.1633 cm^3
• Polarizability: 13.469772 Å^3
• Polar Surface Area: 49.87 Å^2