N'-(2-chloroacetyl)-2-methoxyacetohydrazide

• ChemBase ID: 248121
• Molecular Formular: C5H9ClN2O3
• Molecular Mass: 180.58956
• Monoisotopic Mass: 180.03016984
• SMILES: C(=O)(NNC(=O)COC)CCl
• Canonical SMILES: COCC(=O)NNC(=O)CCl
• InChI: InChI=1S/C5H9ClN2O3/c1-11-3-5(10)8-7-4(9)2-6/h2-3H2,1H3,(H,7,9)(H,8,10)
• InChIKey: CDGPACYNMOSKJQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N'-(2-chloroacetyl)-2-methoxyacetohydrazide
• IUPAC Traditional name: N'-(2-chloroacetyl)-2-methoxyacetohydrazide
• Synonyms: N'-(2-chloroacetyl)-2-methoxyacetohydrazide

Database IDs

• PubChem SID: 164304031
• PubChem CID: 71758393

CALCULATED PROPERTIES

• Acid pKa: 7.75107
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -1.2586671
• LogD (pH = 7.4): -1.3951662
• Log P: -1.2565154
• Molar Refractivity: 38.5384 cm^3
• Polarizability: 15.13318 Å^3
• Polar Surface Area: 67.43 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.688

Product Information

• Purity: 95%