Methyl 1-(2-fluoroethyl)-1H-pyrazole-3-carboxylate - CAS 1429417-81-1
Catalog: |
BB052303 |
Product Name: |
Methyl 1-(2-fluoroethyl)-1H-pyrazole-3-carboxylate |
CAS: |
1429417-81-1 |
Synonyms: |
methyl1-(2-fluoroethyl)-1H-pyrazole-3-carboxylate |
IUPAC Name: | methyl 1-(2-fluoroethyl)pyrazole-3-carboxylate |
Molecular Weight: | 172.16 |
Molecular Formula: | C7H9FN2O2 |
Canonical SMILES: | COC(=O)C1=NN(C=C1)CCF |
InChI: | InChI=1S/C7H9FN2O2/c1-12-7(11)6-2-4-10(9-6)5-3-8/h2,4H,3,5H2,1H3 |
InChI Key: | IMPSRYYBTGYGBG-UHFFFAOYSA-N |
Complexity: | 166 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 172.0648057 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 172.0648057 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 44.1 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.7 |
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