| CAS Number | 53985-74-3 |
| Catalog Number | AG00DK2L(AGN-PC-0WCZGS) |
| Chemical Name | 4-Hydroxy-7-trifluoromethoxyquinoline-3-carboxylic acid |
| IUPAC Name | 4-oxo-7-(trifluoromethoxy)-1H-quinoline-3-carboxylic acid |
| InChI | InChI=1S/C11H6F3NO4/c12-11(13,14)19-5-1-2-6-8(3-5)15-4-7(9(6)16)10(17)18/h1-4H,(H,15,16)(H,17,18) |
| InChI Key | WSRHNQMYSSCBOT-UHFFFAOYSA-N |
| MDL Number | MFCD13192937 |
| Molecular Formula | C11H6F3NO4 |
| Molecular Weight | 273.1648 |
| SMILES | OC(C1=C(O)C2=C(C=C(C=C2)OC(F)(F)F)N=C1)=O |
| Synonyms | 53985-74-3,
4-Hydroxy-7-trifluoromethoxyquinoline-3-carboxylic acid,
SCHEMBL2976313,
SCHEMBL19877065,
CTK8F6037,
DTXSID10671149,
3-Quinolinecarboxylic acid, 1,4-dihydro-4-oxo-7-(trifluoromethoxy)-,
MFCD13192937,
ZINC41702240,
1236061-29-2,
PC404593,
T6561,
4-Hydroxy-7-(trifluoromethoxy)quinoline-3-carboxylic acid,
3-Quinolinecarboxylic acid, 4-hydroxy-7-(trifluoromethoxy)-,
4-oxo-7-(trifluoromethoxy)-1,4-dihydroquinoline-3-carboxylic acid,
4-Hydroxy-7-(trifluoromethyl)quinoline-3-carboxylic acid,
4-oxo-7-(trifluoromethoxy)-1H-quinoline-3-carboxylic acid,
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| Complexity | 432 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 273.025g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 8 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 273.167g/mol |
| Monoisotopic Mass | 273.025g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 75.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
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