2-(4-bromo-2-chlorophenoxy)acetohydrazide

• ChemBase ID: 21656
• Molecular Formular: C8H8BrClN2O2
• Molecular Mass: 279.51832
• Monoisotopic Mass: 277.94576719
• SMILES: C(=O)(NN)COc1c(cc(cc1)Br)Cl
• Canonical SMILES: NNC(=O)COc1ccc(cc1Cl)Br
• InChI: InChI=1S/C8H8BrClN2O2/c9-5-1-2-7(6(10)3-5)14-4-8(13)12-11/h1-3H,4,11H2,(H,12,13)
• InChIKey: HDFWXVTXLGVPLV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(4-bromo-2-chlorophenoxy)acetohydrazide
• IUPAC Traditional name: 2-(4-bromo-2-chlorophenoxy)acetohydrazide
• Synonyms: 2-(4-Bromo-2-chlorophenoxy)acetohydrazide

Database IDs

• CAS Number: 588680-03-9
• MDL Number: MFCD03423111
• PubChem SID: 160984963
• PubChem CID: 5160851

CALCULATED PROPERTIES

• Acid pKa: 10.569805
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 1.5615
• LogD (pH = 7.4): 1.5623467
• Log P: 1.5629369
• Molar Refractivity: 57.3397 cm^3
• Polarizability: 22.24051 Å^3
• Polar Surface Area: 64.35 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false