5-fluoro-2-methylbenzene-1-carboximidamide hydrochloride

• ChemBase ID: 812906
• Molecular Formular: C8H10ClFN2
• Molecular Mass: 188.6298032
• Monoisotopic Mass: 188.05165423
• SMILES: Cl.c1(c(ccc(c1)F)C)C(=N)N
• Canonical SMILES: Fc1ccc(c(c1)C(=N)N)C.Cl
• InChI: InChI=1S/C8H9FN2.ClH/c1-5-2-3-6(9)4-7(5)8(10)11;/h2-4H,1H3,(H3,10,11);1H
• InChIKey: XJMJFKVUKDFJTH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-fluoro-2-methylbenzene-1-carboximidamide hydrochloride
• IUPAC Traditional name: 5-fluoro-2-methylbenzenecarboximidamide hydrochloride
• Synonyms: 5-FLUORO-2-METHYL-BENZAMIDINE HYDROCHLORIDE

Database IDs

• CAS Number: 1187930-24-0

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%