(2-phenoxyphenyl)hydrazine hydrochloride

• ChemBase ID: 812265
• Molecular Formular: C12H13ClN2O
• Molecular Mass: 236.69742
• Monoisotopic Mass: 236.07164073
• SMILES: Cl.NNc1c(cccc1)Oc1ccccc1
• Canonical SMILES: NNc1ccccc1Oc1ccccc1.Cl
• InChI: InChI=1S/C12H12N2O.ClH/c13-14-11-8-4-5-9-12(11)15-10-6-2-1-3-7-10;/h1-9,14H,13H2;1H
• InChIKey: DJVCMGYLUIMOTN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2-phenoxyphenyl)hydrazine hydrochloride
• IUPAC Traditional name: (2-phenoxyphenyl)hydrazine hydrochloride
• Synonyms: (2-PHENOXY-PHENYL)-HYDRAZINE HYDROCHLORIDE

Database IDs

• CAS Number: 109221-96-7

CALCULATED PROPERTIES

• Acid pKa: 17.957043
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 2.7433288
• LogD (pH = 7.4): 2.863408
• Log P: 2.8651757
• Molar Refractivity: 62.0055 cm^3
• Polarizability: 23.23699 Å^3
• Polar Surface Area: 47.28 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%