3-Ethynyl-1-(2,2,2-trifluoroethyl)-1H-pyrazole - CAS 1354704-44-1
Catalog: |
BB052137 |
Product Name: |
3-Ethynyl-1-(2,2,2-trifluoroethyl)-1H-pyrazole |
CAS: |
1354704-44-1 |
Synonyms: |
3-Ethynyl-1-(2,2,2-trifluoroethyl)-1H-pyrazole |
IUPAC Name: | 3-ethynyl-1-(2,2,2-trifluoroethyl)pyrazole |
Molecular Weight: | 174.12 |
Molecular Formula: | C7H5F3N2 |
Canonical SMILES: | C#CC1=NN(C=C1)CC(F)(F)F |
InChI: | InChI=1S/C7H5F3N2/c1-2-6-3-4-12(11-6)5-7(8,9)10/h1,3-4H,5H2 |
InChI Key: | BUZOZPAPWITWPA-UHFFFAOYSA-N |
Complexity: | 202 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 174.04048265 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 174.04048265 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 17.8 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.6 |
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