Methyl 3-(difluoromethyl)-1-ethyl-1H-pyrazole-4-carboxylate - CAS 1946823-80-8
Catalog: |
BB050997 |
Product Name: |
Methyl 3-(difluoromethyl)-1-ethyl-1H-pyrazole-4-carboxylate |
CAS: |
1946823-80-8 |
Synonyms: |
1H-Pyrazole-4-carboxylic acid, 3-(difluoromethyl)-1-ethyl-, methyl ester |
IUPAC Name: | methyl 3-(difluoromethyl)-1-ethylpyrazole-4-carboxylate |
Molecular Weight: | 204.17 |
Molecular Formula: | C8H10F2N2O2 |
Canonical SMILES: | CCN1C=C(C(=N1)C(F)F)C(=O)OC |
InChI: | InChI=1S/C8H10F2N2O2/c1-3-12-4-5(8(13)14-2)6(11-12)7(9)10/h4,7H,3H2,1-2H3 |
InChI Key: | JJLOOIPQQJMVNO-UHFFFAOYSA-N |
Boiling Point: | 286.7±40.0°C (Predicted) |
Purity: | ≥95% |
Density: | 1.30±0.1 g/cm3 (Predicted) |
Complexity: | 214 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 204.07103389 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 204.07103389 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 44.1 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1 |
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