Ethyl 3-difluoromethoxy-2,4,5-trifluoro-6-nitrobenzoylacetate
Basic information
- Standard SMILES
CCOC(=O)CC(=O)c1c(F)c(OC(F)F)c(F)c(F)c1[N+](=O)[O-]- InChIKey
YUMHRIHLNNMDAX-UHFFFAOYSA-N- Molecular formula
- C12H8F5NO6
- Average molar mass
- 357.19 g/mol
- Monoisotopic mass
- 357.02717779
Names & identifiers
- Preferred name
- Ethyl 3-difluoromethoxy-2,4,5-trifluoro-6-nitrobenzoylacetate
- IUPAC
- ethyl 3-[3-(difluoromethoxy)-2,4,5-trifluoro-6-nitrophenyl]-3-oxopropanoate
Names & synonyms
ethyl 3-difluoromethoxy-2,4,5-trifluoro-6-nitrobenzoylacetateSCHEMBL7811246
Database identifiers
- PubChem CID
- 15282968
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 98.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 11
- Rotatable bonds
- 7
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 487
Related reactions
4 records
Compound notes
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