2-chloro-4-fluorobenzene-1-carboximidamide hydrochloride

• ChemBase ID: 812905
• Molecular Formular: C7H7Cl2FN2
• Molecular Mass: 209.0482832
• Monoisotopic Mass: 207.99703181
• SMILES: Cl.c1(c(cc(cc1)F)Cl)C(=N)N
• Canonical SMILES: Fc1ccc(c(c1)Cl)C(=N)N.Cl
• InChI: InChI=1S/C7H6ClFN2.ClH/c8-6-3-4(9)1-2-5(6)7(10)11;/h1-3H,(H3,10,11);1H
• InChIKey: AKMXCYMYEFFHEH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 582306-90-9

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -0.7732513
• LogD (pH = 7.4): -0.6545206
• Log P: 1.6404608
• Molar Refractivity: 52.7517 cm^3
• Polarizability: 15.641524 Å^3
• Polar Surface Area: 49.87 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%