Ethyl-1-tert-butyl-5-fluoro-1H-pyrazole-3-carboxylate - CAS 1269294-04-3
Catalog: |
BB065670 |
Product Name: |
Ethyl-1-tert-butyl-5-fluoro-1H-pyrazole-3-carboxylate |
CAS: |
1269294-04-3 |
Synonyms: |
Ethyl 1-(tert-butyl)-5-fluoro-1H-pyrazole-3-carboxylate; Ethyl 1-tert-butyl-5-fluoro-1H-pyrazole-3-carboxylate; ethyl 1-tert-butyl-5-fluoropyrazole-3-carboxylate; Ethyl-1-tert-butyl-5-fluoro-1H-pyrazole-3-carboxylate |
IUPAC Name: | ethyl 1-tert-butyl-5-fluoropyrazole-3-carboxylate |
Molecular Weight: | 214.24 |
Molecular Formula: | C10H15FN2O2 |
Canonical SMILES: | CCOC(=O)C1=NN(C(=C1)F)C(C)(C)C |
InChI: | InChI=1S/C10H15FN2O2/c1-5-15-9(14)7-6-8(11)13(12-7)10(2,3)4/h6H,5H2,1-4H3 |
InChI Key: | IDLCEOOTQCUMCY-UHFFFAOYSA-N |
Complexity: | 240 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 214.11175589 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 214.11175589 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 44.1Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.1 |
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