2-(1-Methyl-5-(trifluoromethyl)-1H-pyrazol-3-yl)acetonitrile - CAS 1260659-29-7
Catalog: |
BB051890 |
Product Name: |
2-(1-Methyl-5-(trifluoromethyl)-1H-pyrazol-3-yl)acetonitrile |
CAS: |
1260659-29-7 |
Synonyms: |
[1-methyl-5-(trifluoromethyl)-1H-pyrazol-3-yl]acetonitrile |
IUPAC Name: | 2-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]acetonitrile |
Molecular Weight: | 189.14 |
Molecular Formula: | C7H6F3N3 |
Canonical SMILES: | CN1C(=CC(=N1)CC#N)C(F)(F)F |
InChI: | InChI=1S/C7H6F3N3/c1-13-6(7(8,9)10)4-5(12-13)2-3-11/h4H,2H2,1H3 |
InChI Key: | UGAGCTBWKKFXKH-UHFFFAOYSA-N |
Complexity: | 229 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 189.05138169 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 189.05138169 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 41.6 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.8 |
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