1,4-Dimethyl-3-(trifluoromethyl)-1H-pyrazole-5-carboxylic acid - CAS 1823928-90-0
Catalog: |
BB050984 |
Product Name: |
1,4-Dimethyl-3-(trifluoromethyl)-1H-pyrazole-5-carboxylic acid |
CAS: |
1823928-90-0 |
Synonyms: |
1H-Pyrazole-5-carboxylic acid, 1,4-dimethyl-3-(trifluoromethyl)-; 2,4-Dimethyl-5-trifluoromethyl-2H-pyrazole-3-carboxylic acid |
IUPAC Name: | 2,4-dimethyl-5-(trifluoromethyl)pyrazole-3-carboxylic acid |
Molecular Weight: | 208.14 |
Molecular Formula: | C7H7F3N2O2 |
Canonical SMILES: | CC1=C(N(N=C1C(F)(F)F)C)C(=O)O |
InChI: | InChI=1S/C7H7F3N2O2/c1-3-4(6(13)14)12(2)11-5(3)7(8,9)10/h1-2H3,(H,13,14) |
InChI Key: | JEBSGQXQBFCDPF-UHFFFAOYSA-N |
Boiling Point: | 290.9±40.0°C (Predicted) |
Purity: | ≥95% |
Density: | 1.49±0.1 g/cm3 (Predicted) |
Complexity: | 244 |
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: | 1 |
Topological Polar Surface Area: | 55.1 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.4 |
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