5-bromo-2-fluorobenzene-1-carboximidamide hydrochloride

• ChemBase ID: 812901
• Molecular Formular: C7H7BrClFN2
• Molecular Mass: 253.4992832
• Monoisotopic Mass: 251.94651613
• SMILES: Cl.c1(c(ccc(c1)Br)F)C(=N)N
• Canonical SMILES: Brc1ccc(c(c1)C(=N)N)F.Cl
• InChI: InChI=1S/C7H6BrFN2.ClH/c8-4-1-2-6(9)5(3-4)7(10)11;/h1-3H,(H3,10,11);1H
• InChIKey: QRQAJUJIJLZRSJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-bromo-2-fluorobenzene-1-carboximidamide hydrochloride
• IUPAC Traditional name: 5-bromo-2-fluorobenzenecarboximidamide hydrochloride
• Synonyms: 5-BROMO-2-FLUORO-BENZAMIDINE HYDROCHLORIDE

Database IDs

• CAS Number: 1187927-33-8

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -0.5863364
• LogD (pH = 7.4): 0.124369174
• Log P: 1.8051689
• Molar Refractivity: 55.5697 cm^3
• Polarizability: 16.67066 Å^3
• Polar Surface Area: 49.87 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%