(2-iodophenyl)hydrazine hydrochloride

• ChemBase ID: 92891
• Molecular Formular: C6H8ClIN2
• Molecular Mass: 270.49859
• Monoisotopic Mass: 269.94207395
• SMILES: N(c1c(cccc1)I)N.Cl
• Canonical SMILES: NNc1ccccc1I.Cl
• InChI: InChI=1S/C6H7IN2.ClH/c7-5-3-1-2-4-6(5)9-8;/h1-4,9H,8H2;1H
• InChIKey: DLLUKLKKUJXLNY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2-iodophenyl)hydrazine hydrochloride
• IUPAC Traditional name: (2-iodophenyl)hydrazine hydrochloride
• Synonyms: 2-Iodophenylhydrazine hydrochloride

Database IDs

• MDL Number: MFCD03094701
• PubChem SID: 162079589
• PubChem CID: 12326100

CALCULATED PROPERTIES

• Acid pKa: 19.17183
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 2.134847
• LogD (pH = 7.4): 2.291422
• Log P: 2.293833
• Molar Refractivity: 49.1272 cm^3
• Polarizability: 18.056635 Å^3
• Polar Surface Area: 38.05 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Irritant