4-Chloro-5-(2,4,6-trifluorophenoxy)-1H-pyrazol-3-amine
Basic information
- CAS
117717-19-8- Standard SMILES
Nc1[nH]nc(Oc2c(F)cc(F)cc2F)c1Cl- InChIKey
PHZBNUKVRPQKMA-UHFFFAOYSA-N- Molecular formula
- C9H5ClF3N3O
- Average molar mass
- 263.6 g/mol
- Monoisotopic mass
- 263.007324
Names & identifiers
- Preferred name
- 4-Chloro-5-(2,4,6-trifluorophenoxy)-1H-pyrazol-3-amine
- IUPAC
- 4-chloro-3-(2,4,6-trifluorophenoxy)-1H-pyrazol-5-amine
Names & synonyms
DTXSID9012086704-Chloro-5-(2,4,6-trifluorophenoxy)-1H-pyrazol-3-amine117717-19-8
Database identifiers
- CAS
117717-19-8- PubChem CID
- 85572004
- DTXSID
DTXSID901208670
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 63.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 2
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 264
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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