2,5-difluorobenzene-1-carboximidamide hydrochloride

• ChemBase ID: 812897
• Molecular Formular: C7H7ClF2N2
• Molecular Mass: 192.5936864
• Monoisotopic Mass: 192.02658235
• SMILES: Cl.c1(c(ccc(c1)F)F)C(=N)N
• Canonical SMILES: Fc1ccc(c(c1)C(=N)N)F.Cl
• InChI: InChI=1S/C7H6F2N2.ClH/c8-4-1-2-6(9)5(3-4)7(10)11;/h1-3H,(H3,10,11);1H
• InChIKey: QAPPOYNVEJEQOV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,5-difluorobenzene-1-carboximidamide hydrochloride
• IUPAC Traditional name: 2,5-difluorobenzenecarboximidamide hydrochloride
• Synonyms: 2,5-DIFLUORO-BENZAMIDINE HYDROCHLORIDE

Database IDs

• CAS Number: 885957-28-8

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -1.1872051
• LogD (pH = 7.4): -0.22849365
• Log P: 1.1791182
• Molar Refractivity: 48.1633 cm^3
• Polarizability: 13.474289 Å^3
• Polar Surface Area: 49.87 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%