Diethyl (3-difluoromethoxy-2,4,5-trifluoro-6-nitrobenzoyl)malonate
Basic information
- Standard SMILES
CCOC(=O)C(C(=O)OCC)C(=O)c1c(F)c(OC(F)F)c(F)c(F)c1[N+](=O)[O-]- InChIKey
VPBBFSANTZVVIR-UHFFFAOYSA-N- Molecular formula
- C15H12F5NO8
- Average molar mass
- 429.25 g/mol
Names & identifiers
- Preferred name
- Diethyl (3-difluoromethoxy-2,4,5-trifluoro-6-nitrobenzoyl)malonate
- IUPAC
- diethyl 2-[3-(difluoromethoxy)-2,4,5-trifluoro-6-nitrobenzoyl]propanedioate
Names & synonyms
diethyl (3-difluoromethoxy-2,4,5-trifluoro-6-nitrobenzoyl)malonate
Database identifiers
- PubChem CID
- 15282967
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 125 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 13
- Rotatable bonds
- 10
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 612
Related reactions
4 records
Compound notes
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