Ethyl 4-oxo-7-(trifluoromethyl)-1,4-dihydroquinoline-3-carboxylate - CAS 71083-04-0
Catalog: |
BB065553 |
Product Name: |
Ethyl 4-oxo-7-(trifluoromethyl)-1,4-dihydroquinoline-3-carboxylate |
CAS: |
71083-04-0 |
Synonyms: |
ethyl 4-hydroxy-7-(trifluoromethyl)quinoline-3-carboxylate; Ethyl 4-oxo-7-(trifluoromethyl)-1,4-dihydroquinoline-3-carboxylate; Ethyl 4-hydroxy-7-trifluoromethyl-3-quinolinecarboxylate; ethyl 4-oxo-7-(trifluoromethyl)-1H-quinoline-3-carboxylate; ETHYL4-HYDROXY-7-(TRIFLUOROMETHYL)QUINOLINE-3-CARBOXYLATE; ethyl 4-hydroxy-7-(trifluoromethyl)-3-quinolinecarboxylate |
Related CAS: | 391-02-6
|
IUPAC Name: | ethyl 4-oxo-7-(trifluoromethyl)-1H-quinoline-3-carboxylate |
Description: | Ethyl 4-oxo-7-(trifluoromethyl)-1,4-dihydroquinoline-3-carboxylate |
Molecular Weight: | 285.22 |
Molecular Formula: | C13H10F3NO3 |
Canonical SMILES: | CCOC(=O)C1=CNC2=C(C1=O)C=CC(=C2)C(F)(F)F |
InChI: | InChI=1S/C13H10F3NO3/c1-2-20-12(19)9-6-17-10-5-7(13(14,15)16)3-4-8(10)11(9)18/h3-6H,2H2,1H3,(H,17,18) |
InChI Key: | YHUWNMJUAZJACG-UHFFFAOYSA-N |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 |
Signal Word: | Warning |
Complexity: | 445 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 285.06127767 |
Formal Charge: | 0 |
Heavy Atom Count: | 20 |
Hydrogen Bond Acceptor Count: | 7 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 285.06127767 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 55.4Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.9 |
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