2-fluorobenzene-1-carboximidamide

• ChemBase ID: 118288
• Molecular Formular: C7H7FN2
• Molecular Mass: 138.1422832
• Monoisotopic Mass: 138.05932645
• SMILES: c1(C(=N)N)c(F)cccc1
• Canonical SMILES: NC(=N)c1ccccc1F
• InChI: InChI=1S/C7H7FN2/c8-6-4-2-1-3-5(6)7(9)10/h1-4H,(H3,9,10)
• InChIKey: HIEHSPCNXRHNRG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-fluorobenzene-1-carboximidamide
• IUPAC Traditional name: 2-fluorobenzenecarboximidamide
• Synonyms: 2-fluorobenzenecarboximidamide hydrochloride

Database IDs

• CAS Number: 57075-81-7
• MDL Number: MFCD04114435
• PubChem SID: 162098661
• PubChem CID: 4323059

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

Physical Property

• Partition Coefficient: 1.444

Product Information

• Purity: 95+%
• Salt Data: HCl