5-bromofuran-2-carbohydrazide

• ChemBase ID: 52055
• Molecular Formular: C5H5BrN2O2
• Molecular Mass: 205.0094
• Monoisotopic Mass: 203.95343941
• SMILES: o1c(ccc1Br)C(=O)NN
• Canonical SMILES: NNC(=O)c1ccc(o1)Br
• InChI: InChI=1S/C5H5BrN2O2/c6-4-2-1-3(10-4)5(9)8-7/h1-2H,7H2,(H,8,9)
• InChIKey: AKANWSCBFOMJNS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-bromofuran-2-carbohydrazide
• IUPAC Traditional name: 5-bromofuran-2-carbohydrazide
• Synonyms: 5-Bromo-2-furoic acid hydrazide; 5-bromo-2-furohydrazide

Database IDs

• CAS Number: 89282-37-1
• MDL Number: MFCD01310787
• PubChem SID: 162056818
• PubChem CID: 468636

CALCULATED PROPERTIES

• Acid pKa: 11.715413
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 0.056297038
• LogD (pH = 7.4): 0.05674067
• Log P: 0.05676518
• Molar Refractivity: 39.4162 cm^3
• Polarizability: 14.684305 Å^3
• Polar Surface Area: 68.26 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 136-138°C

Safety Information

• Storage Warning: IRRITANT; Irritant
• TSCA Listed: false