Basic information
- Standard SMILES
CCOC(=O)C1=Cc2cc([N+](=O)[O-])ccc2OC1C(F)(F)F- InChIKey
HSJBEGPCVPYKNQ-UHFFFAOYSA-N- Molecular formula
- C13H10F3NO5
- Average molar mass
- 317.22 g/mol
Names & identifiers
- Preferred name
- ethyl 6-nitro-2-(trifluoromethyl)-2H-1-benzopyran-3-carboxylate
- IUPAC
- ethyl 6-nitro-2-(trifluoromethyl)-2H-chromene-3-carboxylate
Names & synonyms
ethyl 6-nitro-2-(trifluoromethyl)-2H-1-benzopyran-3-carboxylateSCHEMBL6092634
Database identifiers
- PubChem CID
- 21883718
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 81.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 3
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 485
Related reactions
3 records
Compound notes
Loading…