2-Ethyl-6-nitro-1-benzofuran-3-carbonitrile
Basic information
- CAS
42901-91-7- Standard SMILES
CCc1oc2cc([N+](=O)[O-])ccc2c1C#N- InChIKey
IFSDQBZOQTYYDL-UHFFFAOYSA-N- Molecular formula
- C11H8N2O3
- Average molar mass
- 216.19 g/mol
- Monoisotopic mass
- 216.05349212
Names & identifiers
- Preferred name
- 2-Ethyl-6-nitro-1-benzofuran-3-carbonitrile
- IUPAC
- 2-ethyl-6-nitro-1-benzofuran-3-carbonitrile
Names & synonyms
42901-91-72-ethyl-6-nitro-1-benzofuran-3-carbonitrileNSC171325DTXSID20305645NSC-171325
Database identifiers
- CAS
42901-91-7- PubChem CID
- 298949
- DTXSID
DTXSID20305645
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 82.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 330
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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