Basic information
- CAS
302552-93-8- Standard SMILES
N#C/C(=C\c1ccc(-c2ccccc2[N+](=O)[O-])o1)C(N)=O- InChIKey
IATDFYNGRLLOOX-VQHVLOKHSA-N- Molecular formula
- C14H9N3O4
- Average molar mass
- 283.24 g/mol
- Monoisotopic mass
- 283.05930578
Names & identifiers
- Preferred name
- 2-Cyano-3-(5-(2-nitrophenyl)furan-2-yl)acrylamide
- IUPAC
- (E)-2-cyano-3-[5-(2-nitrophenyl)furan-2-yl]prop-2-enamide
- English name
- 2-Cyano-3-[5-(2-nitro-phenyl)-furan-2-yl]-acrylamide
- Molecular formula
- C14H9N3O4
- Molecular weight
- 283.24
Names & synonyms
302552-93-82-Cyano-3-(5-(2-nitrophenyl)furan-2-yl)acrylamide(2E)-2-cyano-3-[5-(2-nitrophenyl)furan-2-yl]prop-2-enamide(E)-2-cyano-3-[5-(2-nitrophenyl)furan-2-yl]prop-2-enamideMLS001013407CHEMBL1346343DTXSID101329282HMS2742E04STK977271AKOS001023602SMR000353408ST50077715
Show more names
2-Cyano-3-[5-(2-nitro-phenyl)-furan-2-yl]-acrylamide2-Propenamide, 2-cyano-3-[5-(2-nitrophenyl)-2-furanyl]-
EN300-18208131SR-01000027288SR-01000027288-1Z561755032-cyano-3-[5-(2-nitrophenyl)furan-2-yl]prop-2-enamide2-CYANO-3-(5-(2-NITROPHENYL)-2-FURYL)ACRYLAMIDE(2E)-2-cyano-3-[5-(2-nitrophenyl)(2-furyl)]prop-2-enamide
Database identifiers
- CAS
302552-93-8- PubChem CID
- 718078
- DTXSID
DTXSID101329282- ChEMBL
CHEMBL1346343
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 126 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 502
Experimental & physicochemical properties
Solubility2.2 [ug/mL] (The mean of the results at pH 7.4)
Physicochemical properties
- Boiling point
- 557.9 · 557.9±50.0 °C(Predicted)
- Density
- 1.41 · 1.410±0.06 g/cm3(Predicted)
- pka
- 12.44 · 12.44±0.50(Predicted)
Chemistry & industry
Suppliers3 total
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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