3,5-dichlorobenzene-1-carboximidamide hydrochloride

• ChemBase ID: 86439
• Molecular Formular: C7H7Cl3N2
• Molecular Mass: 225.50288
• Monoisotopic Mass: 223.96748127
• SMILES: N=C(c1cc(cc(c1)Cl)Cl)N.Cl
• Canonical SMILES: NC(=N)c1cc(Cl)cc(c1)Cl.Cl
• InChI: InChI=1S/C7H6Cl2N2.ClH/c8-5-1-4(7(10)11)2-6(9)3-5;/h1-3H,(H3,10,11);1H
• InChIKey: FFLPJEKRAYZAMU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3,5-dichlorobenzene-1-carboximidamide hydrochloride
• IUPAC Traditional name: 3,5-dichlorobenzenecarboximidamide hydrochloride
• Synonyms: 3,5-dichlorobenzene-1-carboximidamide hydrochloride

Database IDs

• CAS Number: 22978-61-6
• MDL Number: MFCD00173785
• PubChem SID: 162073555
• PubChem CID: 2743159

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -0.31292418
• LogD (pH = 7.4): -0.2591414
• Log P: 2.1018035
• Molar Refractivity: 57.3401 cm^3
• Polarizability: 17.804054 Å^3
• Polar Surface Area: 49.87 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%; TECH