(2-fluoro-4-iodophenyl)hydrazine hydrochloride

• ChemBase ID: 95001
• Molecular Formular: C6H7ClFIN2
• Molecular Mass: 288.4890532
• Monoisotopic Mass: 287.93265213
• SMILES: N(c1c(cc(cc1)I)F)N.Cl
• Canonical SMILES: NNc1ccc(cc1F)I.Cl
• InChI: InChI=1S/C6H6FIN2.ClH/c7-5-3-4(8)1-2-6(5)10-9;/h1-3,10H,9H2;1H
• InChIKey: YAHTZRMOKVQZPS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2-fluoro-4-iodophenyl)hydrazine hydrochloride
• IUPAC Traditional name: (2-fluoro-4-iodophenyl)hydrazine hydrochloride
• Synonyms: 2-Fluoro-1-hydrazino-4-iodobenzene hydrochloride; 2-Fluoro-4-iodophenylhydrazine hydrochloride

Database IDs

• CAS Number: 502496-29-9
• MDL Number: MFCD03094174
• PubChem SID: 162081652
• PubChem CID: 44717382

CALCULATED PROPERTIES

• Acid pKa: 16.428715
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 2.347494
• LogD (pH = 7.4): 2.4351754
• Log P: 2.436535
• Molar Refractivity: 49.3436 cm^3
• Polarizability: 17.926592 Å^3
• Polar Surface Area: 38.05 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Harmful/Irritant/Light Sensitive/Store under Argon/Keep Cold