2,4,6-trifluorobenzene-1-carboximidamide hydrochloride

• ChemBase ID: 812911
• Molecular Formular: C7H6ClF3N2
• Molecular Mass: 210.5841496
• Monoisotopic Mass: 210.01716054
• SMILES: Cl.c1(c(cc(cc1F)F)F)C(=N)N
• Canonical SMILES: NC(=N)c1c(F)cc(cc1F)F.Cl
• InChI: InChI=1S/C7H5F3N2.ClH/c8-3-1-4(9)6(7(11)12)5(10)2-3;/h1-2H,(H3,11,12);1H
• InChIKey: VVYHITITVIAWFL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,4,6-trifluorobenzene-1-carboximidamide hydrochloride
• IUPAC Traditional name: 2,4,6-trifluorobenzenecarboximidamide hydrochloride
• Synonyms: 2,4,6-TRIFLUORO-BENZAMIDINE HYDROCHLORIDE

Database IDs

• CAS Number: 1006047-63-7

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -0.60682124
• LogD (pH = 7.4): 0.9151541
• Log P: 1.3218201
• Molar Refractivity: 48.3797 cm^3
• Polarizability: 13.341851 Å^3
• Polar Surface Area: 49.87 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%