2,3-dichlorobenzohydrazide

• ChemBase ID: 27270
• Molecular Formular: C7H6Cl2N2O
• Molecular Mass: 205.04134
• Monoisotopic Mass: 203.98571818
• SMILES: c1(c(c(Cl)ccc1)Cl)C(=O)NN
• Canonical SMILES: NNC(=O)c1cccc(c1Cl)Cl
• InChI: InChI=1S/C7H6Cl2N2O/c8-5-3-1-2-4(6(5)9)7(12)11-10/h1-3H,10H2,(H,11,12)
• InChIKey: BXJDUQVJADYYCG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,3-dichlorobenzohydrazide
• IUPAC Traditional name: 2,3-dichlorobenzohydrazide
• Synonyms: 2,3-Dichlorobenzohydrazide

Database IDs

• CAS Number: 438197-19-4
• MDL Number: MFCD02612553
• PubChem SID: 160990577
• PubChem CID: 3859779

CALCULATED PROPERTIES

• Acid pKa: 12.71407
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 1.7347685
• LogD (pH = 7.4): 1.7354887
• Log P: 1.7354997
• Molar Refractivity: 49.2301 cm^3
• Polarizability: 18.473732 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