1-(3-Methylbutyl)-3-(trifluoromethyl)pyrazole - CAS 1426958-46-4
Catalog: |
BB059801 |
Product Name: |
1-(3-Methylbutyl)-3-(trifluoromethyl)pyrazole |
CAS: |
1426958-46-4 |
Synonyms: |
1-(3-methylbutyl)-3-(trifluoromethyl)pyrazole;1H-Pyrazole, 1-(3-methylbutyl)-3-(trifluoromethyl)- |
IUPAC Name: | 1-(3-methylbutyl)-3-(trifluoromethyl)pyrazole |
Description: | 1-(3-Methylbutyl)-3-(trifluoromethyl)pyrazole |
Molecular Weight: | 206.21 |
Molecular Formula: | C9H13F3N2 |
Canonical SMILES: | CC(C)CCN1C=CC(=N1)C(F)(F)F |
InChI: | InChI=1S/C9H13F3N2/c1-7(2)3-5-14-6-4-8(13-14)9(10,11)12/h4,6-7H,3,5H2,1-2H3 |
InChI Key: | JWCMPBUFQYDICU-UHFFFAOYSA-N |
Complexity: | 179 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 206.10308291 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 206.10308291 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 17.8Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.8 |
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