1-ethyl-5-(trifluoromethyl)-1H-pyrazole-4-carboxylic acid - CAS 1235439-80-1
Catalog: |
BB052367 |
Product Name: |
1-ethyl-5-(trifluoromethyl)-1H-pyrazole-4-carboxylic acid |
CAS: |
1235439-80-1 |
Synonyms: |
1-ethyl-5-(trifluoromethyl)-1H-pyrazole-4-carboxylicacid |
IUPAC Name: | 1-ethyl-5-(trifluoromethyl)pyrazole-4-carboxylic acid |
Molecular Weight: | 208.14 |
Molecular Formula: | C7H7F3N2O2 |
Canonical SMILES: | CCN1C(=C(C=N1)C(=O)O)C(F)(F)F |
InChI: | InChI=1S/C7H7F3N2O2/c1-2-12-5(7(8,9)10)4(3-11-12)6(13)14/h3H,2H2,1H3,(H,13,14) |
InChI Key: | ZRJYUDXJXUVNFC-UHFFFAOYSA-N |
Complexity: | 232 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 208.04596196 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 6 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 208.04596196 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 55.1 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1 |
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