2-amino-3,5-dibromobenzohydrazide

• ChemBase ID: 83905
• Molecular Formular: C7H7Br2N3O
• Molecular Mass: 308.95798
• Monoisotopic Mass: 306.89558586
• SMILES: O=C(c1cc(cc(c1N)Br)Br)NN
• Canonical SMILES: NNC(=O)c1cc(Br)cc(c1N)Br
• InChI: InChI=1S/C7H7Br2N3O/c8-3-1-4(7(13)12-11)6(10)5(9)2-3/h1-2H,10-11H2,(H,12,13)
• InChIKey: GOONVUGWFUNIJB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-amino-3,5-dibromobenzohydrazide
• IUPAC Traditional name: 2-amino-3,5-dibromobenzohydrazide
• Synonyms: 2-amino-3,5-dibromobenzene-1-carbohydrazide

Database IDs

• MDL Number: MFCD00728827
• PubChem SID: 162071021
• PubChem CID: 2781096

CALCULATED PROPERTIES

• Acid pKa: 14.170393
• H Acceptors: 3
• H Donor: 3
• LogD (pH = 5.5): 1.8850925
• LogD (pH = 7.4): 1.8859783
• Log P: 1.8859897
• Molar Refractivity: 59.5665 cm^3
• Polarizability: 21.768255 Å^3
• Polar Surface Area: 81.14 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true