1-(Difluoromethyl)-3-methyl-4-[(trimethylsilyl)ethynyl]-1H-pyrazole - CAS 2054954-43-5
Catalog: |
BB051223 |
Product Name: |
1-(Difluoromethyl)-3-methyl-4-[(trimethylsilyl)ethynyl]-1H-pyrazole |
CAS: |
2054954-43-5 |
Synonyms: |
1H-Pyrazole, 1-(difluoromethyl)-3-methyl-4-[2-(trimethylsilyl)ethynyl]- |
IUPAC Name: | 2-[1-(difluoromethyl)-3-methylpyrazol-4-yl]ethynyl-trimethylsilane |
Molecular Weight: | 228.31 |
Molecular Formula: | C10H14F2N2Si |
Canonical SMILES: | CC1=NN(C=C1C#C[Si](C)(C)C)C(F)F |
InChI: | InChI=1S/C10H14F2N2Si/c1-8-9(5-6-15(2,3)4)7-14(13-8)10(11)12/h7,10H,1-4H3 |
InChI Key: | OIALKEAPMWERTR-UHFFFAOYSA-N |
Boiling Point: | 232.8±40.0°C (Predicted) |
Purity: | ≥95% |
Density: | 1.02±0.1 g/cm3 (Predicted) |
Complexity: | 287 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 228.08943131 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 228.08943131 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 17.8 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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