3,5-dichloro-4-hydrazinylbenzoic acid

• ChemBase ID: 246502
• Molecular Formular: C7H6Cl2N2O2
• Molecular Mass: 221.04074
• Monoisotopic Mass: 219.9806328
• SMILES: c1(c(cc(C(=O)O)cc1Cl)Cl)NN
• Canonical SMILES: NNc1c(Cl)cc(cc1Cl)C(=O)O
• InChI: InChI=1S/C7H6Cl2N2O2/c8-4-1-3(7(12)13)2-5(9)6(4)11-10/h1-2,11H,10H2,(H,12,13)
• InChIKey: JXZKCSOXIGTELP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3,5-dichloro-4-hydrazinylbenzoic acid
• IUPAC Traditional name: 3,5-dichloro-4-hydrazinylbenzoic acid
• Synonyms: 3,5-dichloro-4-hydrazinylbenzoic acid

Database IDs

• MDL Number: MFCD07785889
• PubChem SID: 164302412
• PubChem CID: 53403854

CALCULATED PROPERTIES

• Acid pKa: 4.033063
• H Acceptors: 4
• H Donor: 3
• LogD (pH = 5.5): 0.9479988
• LogD (pH = 7.4): -0.71375996
• Log P: 1.2662846
• Molar Refractivity: 52.6305 cm^3
• Polarizability: 19.14998 Å^3
• Polar Surface Area: 75.35 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 207 - 209°C
• Hydrophobicity(logP): 2.962

Product Information

• Purity: 95%