N'-(2-chloroacetyl)cyclopropanecarbohydrazide

• ChemBase ID: 273924
• Molecular Formular: C6H9ClN2O2
• Molecular Mass: 176.60086
• Monoisotopic Mass: 176.03525522
• SMILES: C1(C(=O)NNC(=O)CCl)CC1
• Canonical SMILES: ClCC(=O)NNC(=O)C1CC1
• InChI: InChI=1S/C6H9ClN2O2/c7-3-5(10)8-9-6(11)4-1-2-4/h4H,1-3H2,(H,8,10)(H,9,11)
• InChIKey: XDOTZSLMQLWNLE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD11109095
• PubChem SID: 164329834
• PubChem CID: 33751513

CALCULATED PROPERTIES

• Acid pKa: 7.888736
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -0.30416614
• LogD (pH = 7.4): -0.40891692
• Log P: -0.30259767
• Molar Refractivity: 39.4842 cm^3
• Polarizability: 15.468722 Å^3
• Polar Surface Area: 58.2 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 185 - 187°C
• Hydrophobicity(logP): -0.471

Product Information

• Purity: 95%