4-bromo-2-fluorobenzene-1-carboximidamide hydrochloride

• ChemBase ID: 812900
• Molecular Formular: C7H7BrClFN2
• Molecular Mass: 253.4992832
• Monoisotopic Mass: 251.94651613
• SMILES: Cl.c1(c(cc(cc1)Br)F)C(=N)N
• Canonical SMILES: Brc1ccc(c(c1)F)C(=N)N.Cl
• InChI: InChI=1S/C7H6BrFN2.ClH/c8-4-1-2-5(7(10)11)6(9)3-4;/h1-3H,(H3,10,11);1H
• InChIKey: GJSNAEGRKQLHPW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-bromo-2-fluorobenzene-1-carboximidamide hydrochloride
• IUPAC Traditional name: 4-bromo-2-fluorobenzenecarboximidamide hydrochloride
• Synonyms: 4-BROMO-2-FLUORO-BENZAMIDINE HYDROCHLORIDE

Database IDs

• CAS Number: 1187927-25-8

CALCULATED PROPERTIES

• Polarizability: 16.67064 Å^3
• Polar Surface Area: 49.87 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -0.59529644
• LogD (pH = 7.4): -0.035000827
• Log P: 1.8051689
• Molar Refractivity: 55.5697 cm^3

PROPERTIES

Product Information

• Purity: 98%