1-Ethyl-5-(trifluoromethyl)-1H-pyrazole - CAS 1392274-30-4
Catalog: |
BB052212 |
Product Name: |
1-Ethyl-5-(trifluoromethyl)-1H-pyrazole |
CAS: |
1392274-30-4 |
Synonyms: |
1-ethyl-5-(trifluoromethyl)-1H-pyrazole |
IUPAC Name: | 1-ethyl-5-(trifluoromethyl)pyrazole |
Molecular Weight: | 164.13 |
Molecular Formula: | C6H7F3N2 |
Canonical SMILES: | CCN1C(=CC=N1)C(F)(F)F |
InChI: | InChI=1S/C6H7F3N2/c1-2-11-5(3-4-10-11)6(7,8)9/h3-4H,2H2,1H3 |
InChI Key: | LLBHLINKJGDRMQ-UHFFFAOYSA-N |
Complexity: | 134 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 164.05613272 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 164.05613272 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 17.8 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.5 |
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