Basic information
- Standard SMILES
CCOC(=O)c1ccc(C(F)(F)F)c([N+](=O)[O-])c1- InChIKey
TVLXRPFJGKSQDX-UHFFFAOYSA-N- Molecular formula
- C10H8F3NO4
- Average molar mass
- 263.17 g/mol
Names & identifiers
- Preferred name
- Ethyl 3-nitro-4-(trifluoromethyl)benzoate
- IUPAC
- ethyl 3-nitro-4-(trifluoromethyl)benzoate
Names & synonyms
ethyl 3-nitro-4-(trifluoromethyl)benzoate154057-14-43-Nitro-4-trifluoromethyl-benzoic acid ethyl esterMFCD14698286starbld0035874SCHEMBL1264453DA-099063-Nitro-4-trifluoromethyl-benzoic acid ethyl ester, 97%
Database identifiers
- PubChem CID
- 19783148
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 72.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 3
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 326
Related reactions
7 records
Compound notes
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