{[4-(difluoromethoxy)phenyl]methyl}hydrazine hydrochloride

• ChemBase ID: 100705
• Molecular Formular: C8H11ClF2N2O
• Molecular Mass: 224.6355464
• Monoisotopic Mass: 224.0527971
• SMILES: N(Cc1ccc(cc1)OC(F)F)N.Cl
• Canonical SMILES: NNCc1ccc(cc1)OC(F)F.Cl
• InChI: InChI=1S/C8H10F2N2O.ClH/c9-8(10)13-7-3-1-6(2-4-7)5-12-11;/h1-4,8,12H,5,11H2;1H
• InChIKey: SJUQCIAEKVVFAN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: {[4-(difluoromethoxy)phenyl]methyl}hydrazine hydrochloride
• IUPAC Traditional name: {[4-(difluoromethoxy)phenyl]methyl}hydrazine hydrochloride
• Synonyms: [4-(Difluoromethoxy)benzyl]hydrazine hydrochloride

Database IDs

• CAS Number: 887596-65-8
• MDL Number: MFCD08458142
• PubChem SID: 162087843
• PubChem CID: 44717746

CALCULATED PROPERTIES

• Polarizability: 17.03927 Å^3
• Polar Surface Area: 47.28 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 1.4790113
• LogD (pH = 7.4): 1.6801699
• Log P: 1.6834458
• Molar Refractivity: 55.9804 cm^3

PROPERTIES

Safety Information

• Storage Warning: Corrosive/Keep Cold