1-Methyl-5-(trifluoromethyl)-1H-pyrazole - CAS 153085-15-5
Catalog: |
BB051460 |
Product Name: |
1-Methyl-5-(trifluoromethyl)-1H-pyrazole |
CAS: |
153085-15-5 |
Synonyms: |
1H-Pyrazole, 1-methyl-5-(trifluoromethyl)- |
IUPAC Name: | 1-methyl-5-(trifluoromethyl)pyrazole |
Molecular Weight: | 150.10 |
Molecular Formula: | C5H5F3N2 |
Canonical SMILES: | CN1C(=CC=N1)C(F)(F)F |
InChI: | InChI=1S/C5H5F3N2/c1-10-4(2-3-9-10)5(6,7)8/h2-3H,1H3 |
InChI Key: | UQLANBZLKVLADA-UHFFFAOYSA-N |
Boiling Point: | 137.7±35.0°C at 760 Torr |
Purity: | ≥95% by HPLC |
Density: | 1.32±0.1 g/cm3 at 20°C, 760 Torr |
Complexity: | 123 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 150.04048265 |
Formal Charge: | 0 |
Heavy Atom Count: | 10 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 150.04048265 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 17.8 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.2 |
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