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Basic information
- Standard SMILES
COC(=O)c1cccc(C=Nc2ccc(C(F)(F)F)cc2)c1[N+](=O)[O-]- InChIKey
YDWBSWOHVWKVFZ-UHFFFAOYSA-N- Molecular formula
- C16H11F3N2O4
- Average molar mass
- 352.26 g/mol
- Monoisotopic mass
- 352.06709132
Names & identifiers
- Preferred name
- Methyl 2-nitro-3-[[4-(trifluoromethyl)phenyl]iminomethyl]benzoate
- IUPAC
- methyl 2-nitro-3-[[4-(trifluoromethyl)phenyl]iminomethyl]benzoate
Names & synonyms
methyl 2-nitro-3-[[4-(trifluoromethyl)phenyl]iminomethyl]benzoateSCHEMBL3961051SCHEMBL3961055YDWBSWOHVWKVFZ-AWQFTUOYSA-NYDWBSWOHVWKVFZ-UHFFFAOYSA-N
Database identifiers
- PubChem CID
- 57718471
Properties
Computed structural propertiesFilling in
- XLogP
- 3.8
- Topological polar surface area
- 84.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 4
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 510
Related reactions
1 records
Compound notes
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