Dimethyl 1-(2-fluoroethyl)-1H-pyrazole-3,4-dicarboxylate - CAS 2054953-84-1
Catalog: |
BB051210 |
Product Name: |
Dimethyl 1-(2-fluoroethyl)-1H-pyrazole-3,4-dicarboxylate |
CAS: |
2054953-84-1 |
Synonyms: |
1H-Pyrazole-3,4-dicarboxylic acid, 1-(2-fluoroethyl)-, 3,4-dimethyl ester |
IUPAC Name: | dimethyl 1-(2-fluoroethyl)pyrazole-3,4-dicarboxylate |
Molecular Weight: | 230.19 |
Molecular Formula: | C9H11FN2O4 |
Canonical SMILES: | COC(=O)C1=CN(N=C1C(=O)OC)CCF |
InChI: | InChI=1S/C9H11FN2O4/c1-15-8(13)6-5-12(4-3-10)11-7(6)9(14)16-2/h5H,3-4H2,1-2H3 |
InChI Key: | XEAOOXQJAWGWOJ-UHFFFAOYSA-N |
Boiling Point: | 304.3±32.0°C at 760 mmHg |
Density: | 1.3±0.1 g/cm3 |
Complexity: | 274 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 230.070285 |
Formal Charge: | 0 |
Heavy Atom Count: | 16 |
Hydrogen Bond Acceptor Count: | 6 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 230.070285 |
Rotatable Bond Count: | 6 |
Topological Polar Surface Area: | 70.4 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.6 |
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