Methyl [3,5-bis(difluoromethyl)-1H-pyrazol-1-yl]acetate - CAS 1260379-26-7
Catalog: |
BB051845 |
Product Name: |
Methyl [3,5-bis(difluoromethyl)-1H-pyrazol-1-yl]acetate |
CAS: |
1260379-26-7 |
Synonyms: |
methyl 2-[3,5-bis(difluoromethyl)pyrazolyl]acetate |
IUPAC Name: | methyl 2-[3,5-bis(difluoromethyl)pyrazol-1-yl]acetate |
Molecular Weight: | 240.15 |
Molecular Formula: | C8H8F4N2O2 |
Canonical SMILES: | COC(=O)CN1C(=CC(=N1)C(F)F)C(F)F |
InChI: | InChI=1S/C8H8F4N2O2/c1-16-6(15)3-14-5(8(11)12)2-4(13-14)7(9)10/h2,7-8H,3H2,1H3 |
InChI Key: | BUIGGBLUFZPLKT-UHFFFAOYSA-N |
Purity: | 97% |
Complexity: | 252 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 240.05219015 |
Formal Charge: | 0 |
Heavy Atom Count: | 16 |
Hydrogen Bond Acceptor Count: | 7 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 240.05219015 |
Rotatable Bond Count: | 5 |
Topological Polar Surface Area: | 44.1 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.6 |
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