5-fluoro-2-methylbenzene-1-carboximidamide

• ChemBase ID: 799600
• Molecular Formular: C8H9FN2
• Molecular Mass: 152.1688632
• Monoisotopic Mass: 152.07497652
• SMILES: c1(c(ccc(c1)F)C)C(=N)N
• Canonical SMILES: Fc1ccc(c(c1)C(=N)N)C
• InChI: InChI=1S/C8H9FN2/c1-5-2-3-6(9)4-7(5)8(10)11/h2-4H,1H3,(H3,10,11)
• InChIKey: QQTHLHHSUAXNEA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-fluoro-2-methylbenzene-1-carboximidamide
• IUPAC Traditional name: 5-fluoro-2-methylbenzenecarboximidamide
• Synonyms: 5-fluoro-2-methylbenzimidamide

Database IDs

• CAS Number: 885956-82-1

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -0.86529577
• LogD (pH = 7.4): -0.84050894
• Log P: 1.5498376
• Molar Refractivity: 52.9881 cm^3
• Polarizability: 15.449981 Å^3
• Polar Surface Area: 49.87 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%