Basic information
- CAS
1443279-13-7- Standard SMILES
CCn1cc(I)c(C(F)(F)F)n1- InChIKey
LUSQMWHRWPFCBP-UHFFFAOYSA-N- Molecular formula
- C6H6F3IN2
- Average molar mass
- 290.02 g/mol
Names & identifiers
- Preferred name
- 1-ethyl-4-iodo-3-(trifluoromethyl)-1H-pyrazole
- IUPAC
- 1-ethyl-4-iodo-3-(trifluoromethyl)pyrazole
- English name
- 1-Ethyl-4-iodo-3-trifluoromethyl-1H-pyrazole
- Molecular formula
- C6H6F3IN2
- Molecular weight
- 290.02
Names & synonyms
1-ethyl-4-iodo-3-(trifluoromethyl)-1H-pyrazole1443279-13-71-ETHYL-4-IODO-3-(TRIFLUOROMETHYL)PYRAZOLEMFCD25949486SCHEMBL24013536THC27913STL415501AKOS025255566DB-421611EN300-2330171-Ethyl-4-iodo-3-trifluoromethyl-1H-pyrazole1H-Pyrazole, 1-ethyl-4-iodo-3-(trifluoromethyl)-
Database identifiers
- CAS
1443279-13-7
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 17.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 161
Physicochemical properties
- Boiling point
- 247.3 · 247.3±40.0 °C(Predicted)
- Density
- 1.97 · 1.97±0.1 g/cm3(Predicted)
- pka
- -2.59 · -2.59±0.10(Predicted)
Chemistry & industry
Suppliers1 total
常州合晶化工有限公司85528066 13775048983 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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