Basic information
- Standard SMILES
O=C(CO)Nc1c([N+](=O)[O-])cnn1-c1c(F)c(F)c(C(F)(F)F)c(F)c1F- InChIKey
BTNPNUJPUWIBFG-UHFFFAOYSA-N- Molecular formula
- C12H5F7N4O4
- Average molar mass
- 402.18 g/mol
Names & identifiers
- Preferred name
- 1-(2,3,5,6-Tetrafluoro-4-trifluoromethylphenyl)-5-hydroxymethylcarbonylamino-4-nitropyrazole
- IUPAC
- 2-hydroxy-N-[4-nitro-1-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]pyrazol-5-yl]acetamide
Names & synonyms
1-(2,3,5,6-tetrafluoro-4-trifluoromethylphenyl)-5-hydroxymethylcarbonylamino-4-nitropyrazoleSCHEMBL95876911-(2,3,5,6-tetrafluoro-4-trifluoromethylphenyl)- 5-hydroxymethylcarbonylamino-4-nitropyrazole1-(2,3,5,6-tetrafluoro-4-trifluoromethylphenyl)-5 -hydroxymethylcarbonylamino-4-nitropyrazole
Database identifiers
- PubChem CID
- 19783056
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 113 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 12
- Rotatable bonds
- 3
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 561
Related reactions
6 records
Compound notes
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