3-fluorobenzene-1-carboximidamide

• ChemBase ID: 307565
• Molecular Formular: C7H7FN2
• Molecular Mass: 138.1422832
• Monoisotopic Mass: 138.05932645
• SMILES: C(=N)(c1cc(F)ccc1)N
• Canonical SMILES: Fc1cccc(c1)C(=N)N
• InChI: InChI=1S/C7H7FN2/c8-6-3-1-2-5(4-6)7(9)10/h1-4H,(H3,9,10)
• InChIKey: SOYGDYKLWFRCGI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-fluorobenzene-1-carboximidamide
• IUPAC Traditional name: 3-fluorobenzenecarboximidamide
• Synonyms: 3-fluorobenzenecarboximidamide; 3-FLUORO-BENZAMIDINE

Database IDs

• CAS Number: 69491-64-1
• MDL Number: MFCD05663128

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -1.3785703
• LogD (pH = 7.4): -1.3430531
• Log P: 1.0364162
• Molar Refractivity: 47.9469 cm^3
• Polarizability: 13.691461 Å^3
• Polar Surface Area: 49.87 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%