1-(2-Chloroethyl)-5-methyl-3-(trifluoromethyl)-1H-pyrazole - CAS 1392274-39-3
Catalog: |
BB052219 |
Product Name: |
1-(2-Chloroethyl)-5-methyl-3-(trifluoromethyl)-1H-pyrazole |
CAS: |
1392274-39-3 |
Synonyms: |
1-(2-Chloroethyl)-5-methyl-3-(trifluoromethyl)-1H-pyrazole |
IUPAC Name: | 1-(2-chloroethyl)-5-methyl-3-(trifluoromethyl)pyrazole |
Molecular Weight: | 212.60 |
Molecular Formula: | C7H8ClF3N2 |
Canonical SMILES: | CC1=CC(=NN1CCCl)C(F)(F)F |
InChI: | InChI=1S/C7H8ClF3N2/c1-5-4-6(7(9,10)11)12-13(5)3-2-8/h4H,2-3H2,1H3 |
InChI Key: | KHCOEXQDDZHYED-UHFFFAOYSA-N |
Complexity: | 174 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 212.0328104 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 212.0328104 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 17.8 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.1 |
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