Ethyl 6-fluoro-4-oxo-1H-quinoline-3-carboxylate - CAS 71083-00-6
Catalog: |
BB065714 |
Product Name: |
Ethyl 6-fluoro-4-oxo-1H-quinoline-3-carboxylate |
CAS: |
71083-00-6 |
Synonyms: |
ethyl 6-fluoro-4-hydroxyquinoline-3-carboxylate; ethyl 6-fluoro-4-hydroxy-3-quinolinecarboxylate; ethyl 6-fluoro-4-oxo-1H-quinoline-3-carboxylate; 6-Fluoro-4-hydroxyquinoline-3-carboxylic acid ethyl ester; 3-quinolinecarboxylic acid, 6-fluoro-4-hydroxy-, ethyl ester; ethyl 6-fluoro-4-oxo-1,4-dihydroquinoline-3-carboxylate |
IUPAC Name: | ethyl 6-fluoro-4-oxo-1H-quinoline-3-carboxylate |
Description: | Ethyl 6-fluoro-4-oxo-1H-quinoline-3-carboxylate |
Molecular Weight: | 235.21 |
Molecular Formula: | C12H10FNO3 |
Canonical SMILES: | CCOC(=O)C1=CNC2=C(C1=O)C=C(C=C2)F |
InChI: | InChI=1S/C12H10FNO3/c1-2-17-12(16)9-6-14-10-4-3-7(13)5-8(10)11(9)15/h3-6H,2H2,1H3,(H,14,15) |
InChI Key: | LNPRCADPRULVTR-UHFFFAOYSA-N |
Complexity: | 367 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 235.06447134 |
Formal Charge: | 0 |
Heavy Atom Count: | 17 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 235.06447134 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 55.4Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.1 |
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