Ethyl 2-chloro-3-nitro-5-trifluoromethylbenzoate
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Basic information
- Standard SMILES
CCOC(=O)c1cc(C(F)(F)F)cc([N+](=O)[O-])c1Cl- InChIKey
PXJSMZCPMBBRGH-UHFFFAOYSA-N- Molecular formula
- C10H7ClF3NO4
- Average molar mass
- 297.61 g/mol
- Monoisotopic mass
- 297.0015699
Names & identifiers
- Preferred name
- Ethyl 2-chloro-3-nitro-5-trifluoromethylbenzoate
- IUPAC
- ethyl 2-chloro-3-nitro-5-(trifluoromethyl)benzoate
Names & synonyms
ethyl 2-chloro-3-nitro-5-trifluoromethylbenzoate909276-03-5SCHEMBL1886725DA-01171
Database identifiers
- PubChem CID
- 67200596
Properties
Computed structural propertiesFilling in
- XLogP
- 3.5
- Topological polar surface area
- 72.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 3
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 358
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Related reactions
4 records
Compound notes
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