Basic information
- CAS
318284-49-0- Standard SMILES
CON=Cc1c(C(F)(F)F)nn(C)c1Cl- InChIKey
QVYDKFZBKXOIFV-UHFFFAOYSA-N- Molecular formula
- C7H7ClF3N3O
- Average molar mass
- 241.6 g/mol
Names & identifiers
- Preferred name
- 1-[5-chloro-1-methyl-3-(trifluoromethyl)pyrazol-4-yl]-N-methoxymethanimine
- IUPAC
- 1-[5-chloro-1-methyl-3-(trifluoromethyl)pyrazol-4-yl]-N-methoxymethanimine
- English name
- 5-Chloro-1-methyl-3-(trifluoromethyl)-1H-pyrazole-4-carbaldehyde O-methyloxime
- Molecular formula
- C7H7ClF3N3O
- Molecular weight
- 241.6
Names & synonyms
5-Chloro-1-methyl-3-(trifluoromethyl)-1H-pyrazole-4-carbaldehyde O-methyloxime1H-Pyrazole-4-carboxaldehyde, 5-chloro-1-methyl-3-(trifluoromethyl)-, O-methyloxime(E)-{[5-chloro-1-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]methylidene}(methoxy)amine
Database identifiers
- CAS
318284-49-0
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 39.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 2
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 248
Physicochemical properties
- Boiling point
- 261.6 · 261.6±50.0 °C(Predicted)
- Density
- 1.46 · 1.46±0.1 g/cm3(Predicted)
- pka
- -2.88 · -2.88±0.10(Predicted)
Chemistry & industry
Suppliers3 total
Ryan Scientific, Inc.[email protected]
Key Organics Ltd.[email protected]
BIONET-INTER[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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