5-chloro-N'-(2-chloroacetyl)-2-methoxybenzohydrazide

• ChemBase ID: 233389
• Molecular Formular: C10H10Cl2N2O3
• Molecular Mass: 277.104
• Monoisotopic Mass: 276.00684755
• SMILES: c1(C(=O)NNC(=O)CCl)c(ccc(c1)Cl)OC
• Canonical SMILES: ClCC(=O)NNC(=O)c1cc(Cl)ccc1OC
• InChI: InChI=1S/C10H10Cl2N2O3/c1-17-8-3-2-6(12)4-7(8)10(16)14-13-9(15)5-11/h2-4H,5H2,1H3,(H,13,15)(H,14,16)
• InChIKey: KNWDGVSSGKZSSJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-chloro-N'-(2-chloroacetyl)-2-methoxybenzohydrazide
• IUPAC Traditional name: 5-chloro-N'-(2-chloroacetyl)-2-methoxybenzohydrazide
• Synonyms: 5-chloro-N'-(chloroacetyl)-2-methoxybenzohydrazide

Database IDs

• MDL Number: MFCD05263150
• PubChem SID: 164289299
• PubChem CID: 2113291

CALCULATED PROPERTIES

• Acid pKa: 6.860465
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 1.2017721
• LogD (pH = 7.4): 0.71303535
• Log P: 1.218154
• Molar Refractivity: 64.0235 cm^3
• Polarizability: 24.465595 Å^3
• Polar Surface Area: 67.43 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 195 - 197°C
• Hydrophobicity(logP): 1.905

Product Information

• Purity: 95%