2-fluorobenzene-1-carboximidamide hydrochloride

• ChemBase ID: 54149
• Molecular Formular: C7H8ClFN2
• Molecular Mass: 174.6032232
• Monoisotopic Mass: 174.03600417
• SMILES: c1(c(cccc1)F)C(=N)N.Cl
• Canonical SMILES: NC(=N)c1ccccc1F.Cl
• InChI: InChI=1S/C7H7FN2.ClH/c8-6-4-2-1-3-5(6)7(9)10;/h1-4H,(H3,9,10);1H
• InChIKey: VCDJPGDATCBGMF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-fluorobenzene-1-carboximidamide hydrochloride
• IUPAC Traditional name: 2-fluorobenzenecarboximidamide hydrochloride
• Synonyms: 2-Fluoro-benzamidine hydrochloride; 2-Fluorobenzamidine hydrochloride

Database IDs

• CAS Number: 57075-81-7
• MDL Number: MFCD04114435
• PubChem SID: 162058912
• PubChem CID: 11715262

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -1.3678783
• LogD (pH = 7.4): -0.8944207
• Log P: 1.0364162
• Molar Refractivity: 47.9469 cm^3
• Polarizability: 13.693048 Å^3
• Polar Surface Area: 49.87 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95%+; 95+%; 98%