Ethyl 1-(difluoromethyl)-1H-pyrazole-5-carboxylate - CAS 1245773-11-8
Catalog: |
BB051768 |
Product Name: |
Ethyl 1-(difluoromethyl)-1H-pyrazole-5-carboxylate |
CAS: |
1245773-11-8 |
Synonyms: |
ethyl 1-(difluoromethyl)pyrazole-5-carboxylate |
IUPAC Name: | ethyl 2-(difluoromethyl)pyrazole-3-carboxylate |
Molecular Weight: | 190.15 |
Molecular Formula: | C7H8F2N2O2 |
Canonical SMILES: | CCOC(=O)C1=CC=NN1C(F)F |
InChI: | InChI=1S/C7H8F2N2O2/c1-2-13-6(12)5-3-4-10-11(5)7(8)9/h3-4,7H,2H2,1H3 |
InChI Key: | KXGUFDQXUNGUDW-UHFFFAOYSA-N |
Complexity: | 189 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 190.05538383 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 190.05538383 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 44.1 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.6 |
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