Basic information
- Standard SMILES
C=CCOc1cc([N+](=O)[O-])ccc1C#N- InChIKey
HLPXACVEKAQVFI-UHFFFAOYSA-N- Molecular formula
- C10H8N2O3
- Average molar mass
- 204.18 g/mol
Names & identifiers
- Preferred name
- 2-(Allyloxy)-4-nitrobenzonitrile
- IUPAC
- 4-nitro-2-prop-2-enoxybenzonitrile
Names & synonyms
2-(allyloxy)-4-nitrobenzonitrile627531-33-3SCHEMBL3604242-Allyloxy-4-nitrobenzonitrileHLPXACVEKAQVFI-UHFFFAOYSA-NDA-27940
Database identifiers
- PubChem CID
- 59754307
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 78.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 289
Related reactions
8 records
Compound notes
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