(5-chloro-2-fluorophenyl)hydrazine hydrochloride

• ChemBase ID: 99461
• Molecular Formular: C6H7Cl2FN2
• Molecular Mass: 197.0375832
• Monoisotopic Mass: 195.99703181
• SMILES: N(c1c(ccc(c1)Cl)F)N.Cl
• Canonical SMILES: NNc1cc(Cl)ccc1F.Cl
• InChI: InChI=1S/C6H6ClFN2.ClH/c7-4-1-2-5(8)6(3-4)10-9;/h1-3,10H,9H2;1H
• InChIKey: XYWXFBGIZMKSDU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (5-chloro-2-fluorophenyl)hydrazine hydrochloride
• IUPAC Traditional name: (5-chloro-2-fluorophenyl)hydrazine hydrochloride
• Synonyms: 5-Chloro-2-fluorophenylhydrazine hydrochloride 97%; 5-Chloro-2-fluorophenylhydrazine hydrochloride

Database IDs

• CAS Number: 529512-80-9
• MDL Number: MFCD03094414
• PubChem SID: 162085726
• PubChem CID: 2773731

CALCULATED PROPERTIES

• Acid pKa: 15.831231
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 2.0351765
• LogD (pH = 7.4): 2.1103673
• Log P: 2.111635
• Molar Refractivity: 40.7859 cm^3
• Polarizability: 14.494714 Å^3
• Polar Surface Area: 38.05 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Irritant