2-bromo-4-chlorobenzohydrazide

• ChemBase ID: 52273
• Molecular Formular: C7H6BrClN2O
• Molecular Mass: 249.49234
• Monoisotopic Mass: 247.9352025
• SMILES: C(=O)(c1c(cc(cc1)Cl)Br)NN
• Canonical SMILES: NNC(=O)c1ccc(cc1Br)Cl
• InChI: InChI=1S/C7H6BrClN2O/c8-6-3-4(9)1-2-5(6)7(12)11-10/h1-3H,10H2,(H,11,12)
• InChIKey: DZHFCZDTCHVFRI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-bromo-4-chlorobenzohydrazide
• IUPAC Traditional name: 2-bromo-4-chlorobenzohydrazide
• Synonyms: 2-Bromo-4-chlorobenzhydrazide

Database IDs

• MDL Number: MFCD03425669
• PubChem SID: 162057036
• PubChem CID: 3913907

CALCULATED PROPERTIES

• Acid pKa: 12.8291
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 1.8994387
• LogD (pH = 7.4): 1.9001966
• Log P: 1.9002078
• Molar Refractivity: 52.0481 cm^3
• Polarizability: 19.47016 Å^3
• Polar Surface Area: 55.12 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 174-176°C

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false