1-Ethyl-5-fluoro-1H-pyrazole-4-carboxylic acid - CAS 1429418-92-7
Catalog: |
BB052237 |
Product Name: |
1-Ethyl-5-fluoro-1H-pyrazole-4-carboxylic acid |
CAS: |
1429418-92-7 |
Synonyms: |
1-Ethyl-5-fluoro-1H-pyrazole-4-carboxylicacid |
IUPAC Name: | 1-ethyl-5-fluoropyrazole-4-carboxylic acid |
Molecular Weight: | 158.13 |
Molecular Formula: | C6H7FN2O2 |
Canonical SMILES: | CCN1C(=C(C=N1)C(=O)O)F |
InChI: | InChI=1S/C6H7FN2O2/c1-2-9-5(7)4(3-8-9)6(10)11/h3H,2H2,1H3,(H,10,11) |
InChI Key: | OHSXMPHFVYZHKI-UHFFFAOYSA-N |
Complexity: | 165 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 158.04915563 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 158.04915563 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 55.1 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.5 |
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