5-bromo-2-chlorobenzohydrazide

• ChemBase ID: 27269
• Molecular Formular: C7H6BrClN2O
• Molecular Mass: 249.49234
• Monoisotopic Mass: 247.9352025
• SMILES: c1(C(=O)NN)c(ccc(c1)Br)Cl
• Canonical SMILES: NNC(=O)c1cc(Br)ccc1Cl
• InChI: InChI=1S/C7H6BrClN2O/c8-4-1-2-6(9)5(3-4)7(12)11-10/h1-3H,10H2,(H,11,12)
• InChIKey: WWFCYCURWFOZSY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-bromo-2-chlorobenzohydrazide
• IUPAC Traditional name: 5-bromo-2-chlorobenzohydrazide
• Synonyms: 5-Bromo-2-chlorobenzohydrazide

Database IDs

• MDL Number: MFCD00051528
• PubChem SID: 160990576
• PubChem CID: 3614453

CALCULATED PROPERTIES

• Acid pKa: 12.736727
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 1.8994784
• LogD (pH = 7.4): 1.9001968
• Log P: 1.9002078
• Molar Refractivity: 52.0481 cm^3
• Polarizability: 19.47833 Å^3
• Polar Surface Area: 55.12 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false