hydrogen 4-fluorobenzene-1-carboximidamide chloride

• ChemBase ID: 293475
• Molecular Formular: C7H7ClFN2-
• Molecular Mass: 173.5952832
• Monoisotopic Mass: 173.02817913
• SMILES: c1c(C(=N)N)ccc(c1)F.[Cl-]
• Canonical SMILES: NC(=N)c1ccc(cc1)F.[Cl-]
• InChI: InChI=1S/C7H7FN2.ClH/c8-6-3-1-5(2-4-6)7(9)10;/h1-4H,(H3,9,10);1H/p-1
• InChIKey: JQDATBKJKUWNGA-UHFFFAOYSA-M

NAMES AND DATABASE IDS

Names

• IUPAC name: hydrogen 4-fluorobenzene-1-carboximidamide chloride
• IUPAC Traditional name: hydrogen 4-fluorobenzenecarboximidamide chloride
• Synonyms: 4-Fluorobenzamidine hydrochloride

Database IDs

• CAS Number: 456-14-4
• MDL Number: MFCD04114421
• PubChem SID: 180679006
• PubChem CID: 19770596

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -1.3789363
• LogD (pH = 7.4): -1.3706815
• Log P: 1.0364162
• Molar Refractivity: 47.9469 cm^3
• Polarizability: 13.690834 Å^3
• Polar Surface Area: 49.87 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%