1-Ethyl-4-nitro-5-(trifluoromethyl)-1H-pyrazole
Basic information
- CAS
1443279-41-1- Standard SMILES
CCn1ncc([N+](=O)[O-])c1C(F)(F)F- InChIKey
QBPYPTPFVMAYPW-UHFFFAOYSA-N- Molecular formula
- C6H6F3N3O2
- Average molar mass
- 209.13 g/mol
- Monoisotopic mass
- 209.04121093
Names & identifiers
- Preferred name
- 1-Ethyl-4-nitro-5-(trifluoromethyl)-1H-pyrazole
- IUPAC
- 1-ethyl-4-nitro-5-(trifluoromethyl)pyrazole
Names & synonyms
1-Ethyl-4-nitro-5-(trifluoromethyl)-1H-pyrazole1443279-41-11-ethyl-4-nitro-5-(trifluoromethyl)pyrazoleDTXSID301231586AKOS0274555711H-Pyrazole, 1-ethyl-4-nitro-5-(trifluoromethyl)-
Database identifiers
- CAS
1443279-41-1- PubChem CID
- 97182147
- DTXSID
DTXSID301231586
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 63.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 1
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 227
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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