furan-2-carbonyl azide

• ChemBase ID: 266017
• Molecular Formular: C5H3N3O2
• Molecular Mass: 137.09622
• Monoisotopic Mass: 137.02252635
• SMILES: [N+](=NC(=O)c1occc1)=[N-]
• Canonical SMILES: [N-]=[N+]=NC(=O)c1ccco1
• InChI: InChI=1S/C5H3N3O2/c6-8-7-5(9)4-2-1-3-10-4/h1-3H
• InChIKey: YKSPDHDZLUZVDJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: furan-2-carbonyl azide
• IUPAC Traditional name: furan-2-carbonyl azide
• Synonyms: furan-2-carbonyl azide

Database IDs

• MDL Number: MFCD03768934
• PubChem SID: 164321927
• PubChem CID: 3579869

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 0.4149717
• LogD (pH = 7.4): 0.4149717
• Log P: 0.5290174
• Molar Refractivity: 32.0844 cm^3
• Polarizability: 11.509078 Å^3
• Polar Surface Area: 59.64 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 60 - 62°C
• Hydrophobicity(logP): 1.426

Product Information

• Purity: 95%