[4-(chlorodifluoromethoxy)phenyl]hydrazine hydrochloride

• ChemBase ID: 100331
• Molecular Formular: C7H8Cl2F2N2O
• Molecular Mass: 245.0540264
• Monoisotopic Mass: 243.99817469
• SMILES: O(c1ccc(cc1)NN)C(Cl)(F)F.Cl
• Canonical SMILES: NNc1ccc(cc1)OC(Cl)(F)F.Cl
• InChI: InChI=1S/C7H7ClF2N2O.ClH/c8-7(9,10)13-6-3-1-5(12-11)2-4-6;/h1-4,12H,11H2;1H
• InChIKey: MERMNAPUZPBHAU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [4-(chlorodifluoromethoxy)phenyl]hydrazine hydrochloride
• IUPAC Traditional name: [4-(chlorodifluoromethoxy)phenyl]hydrazine hydrochloride
• Synonyms: 4-[Chloro(difluoro)methoxy]phenylhydrazine hydrochloride

Database IDs

• MDL Number: MFCD09864694
• PubChem SID: 162086615
• PubChem CID: 44717718

CALCULATED PROPERTIES

• LogD (pH = 7.4): 3.0802114
• Log P: 3.0835893
• Molar Refractivity: 38.835 cm^3
• Polarizability: 16.940794 Å^3
• Polar Surface Area: 47.28 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 2.8740864

PROPERTIES

Safety Information

• Storage Warning: Irritant