[N'-(2,4-dichlorophenyl)hydrazinecarbonyl]formic acid

• ChemBase ID: 263340
• Molecular Formular: C8H6Cl2N2O3
• Molecular Mass: 249.05084
• Monoisotopic Mass: 247.97554742
• SMILES: C(=O)(C(=O)O)NNc1c(cc(cc1)Cl)Cl
• Canonical SMILES: Clc1ccc(c(c1)Cl)NNC(=O)C(=O)O
• InChI: InChI=1S/C8H6Cl2N2O3/c9-4-1-2-6(5(10)3-4)11-12-7(13)8(14)15/h1-3,11H,(H,12,13)(H,14,15)
• InChIKey: LEIUKVPEVMKZOI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [N'-(2,4-dichlorophenyl)hydrazinecarbonyl]formic acid
• IUPAC Traditional name: [N'-(2,4-dichlorophenyl)hydrazinecarbonyl]formic acid
• Synonyms: [N'-(2,4-dichlorophenyl)hydrazinecarbonyl]formic acid

Database IDs

• MDL Number: MFCD13196044
• PubChem SID: 164319250
• PubChem CID: 45792303

CALCULATED PROPERTIES

• Acid pKa: 2.2331164
• H Acceptors: 4
• H Donor: 3
• LogD (pH = 5.5): -0.8382362
• LogD (pH = 7.4): -1.2799965
• Log P: 2.2395983
• Molar Refractivity: 55.551 cm^3
• Polarizability: 20.874458 Å^3
• Polar Surface Area: 78.43 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 169 - 171°C
• Hydrophobicity(logP): 1.624

Product Information

• Purity: 95%