3,5-dichloro-4-hydroxybenzohydrazide

• ChemBase ID: 27132
• Molecular Formular: C7H6Cl2N2O2
• Molecular Mass: 221.04074
• Monoisotopic Mass: 219.9806328
• SMILES: c1(c(cc(C(=O)NN)cc1Cl)Cl)O
• Canonical SMILES: NNC(=O)c1cc(Cl)c(c(c1)Cl)O
• InChI: InChI=1S/C7H6Cl2N2O2/c8-4-1-3(7(13)11-10)2-5(9)6(4)12/h1-2,12H,10H2,(H,11,13)
• InChIKey: YAECGTGIGJYKPO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3,5-dichloro-4-hydroxybenzohydrazide
• IUPAC Traditional name: 3,5-dichloro-4-hydroxybenzohydrazide
• Synonyms: 3,5-Dichloro-4-hydroxybenzohydrazide

Database IDs

• CAS Number: 23964-29-6
• MDL Number: MFCD01661057
• PubChem SID: 160990439
• PubChem CID: 212211

CALCULATED PROPERTIES

• Acid pKa: 5.471246
• H Acceptors: 3
• H Donor: 3
• LogD (pH = 5.5): 1.1189845
• LogD (pH = 7.4): -0.25889245
• Log P: 1.4319345
• Molar Refractivity: 51.211 cm^3
• Polarizability: 19.150259 Å^3
• Polar Surface Area: 75.35 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false