Basic information
- Standard SMILES
O=CCCc1ccc([N+](=O)[O-])cc1C(F)(F)F- InChIKey
JOLBBHBNIPHUID-UHFFFAOYSA-N- Molecular formula
- C10H8F3NO3
- Average molar mass
- 247.17 g/mol
- Monoisotopic mass
- 247.0456276
Names & identifiers
- Preferred name
- 3-(4-Nitro-2-(trifluoromethyl)phenyl)propionaldehyde
- IUPAC
- 3-[4-nitro-2-(trifluoromethyl)phenyl]propanal
Names & synonyms
3-(4-nitro-2-(trifluoromethyl)phenyl)propionaldehyde924909-34-2SCHEMBL2791779DA-404983-(4-Nitro-2-(trifluoromethyl)phenyl)propanal
Database identifiers
- PubChem CID
- 23155296
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 62.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 3
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 288
Related reactions
5 records
Compound notes
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