3-chlorobenzene-1-carboximidamide

• ChemBase ID: 799598
• Molecular Formular: C7H7ClN2
• Molecular Mass: 154.59688
• Monoisotopic Mass: 154.02977591
• SMILES: c1(cc(ccc1)Cl)C(=N)N
• Canonical SMILES: Clc1cccc(c1)C(=N)N
• InChI: InChI=1S/C7H7ClN2/c8-6-3-1-2-5(4-6)7(9)10/h1-4H,(H3,9,10)
• InChIKey: LURAKWQBMZORLL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-chlorobenzene-1-carboximidamide
• IUPAC Traditional name: 3-chlorobenzenecarboximidamide
• Synonyms: 3-chlorobenzimidamide

Database IDs

• CAS Number: 25412-62-8

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -0.91741735
• LogD (pH = 7.4): -0.8958191
• Log P: 1.497759
• Molar Refractivity: 52.5353 cm^3
• Polarizability: 15.88656 Å^3
• Polar Surface Area: 49.87 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%