| CAS Number | 955288-52-5 |
| Catalog Number | AG006CNB(AGN-PC-0WR8TV) |
| Chemical Name | 4-Chloro-2-hydroxy-8-trifluoromethylquinoline |
| IUPAC Name | 4-chloro-8-(trifluoromethyl)-1H-quinolin-2-one |
| InChI | InChI=1S/C10H5ClF3NO/c11-7-4-8(16)15-9-5(7)2-1-3-6(9)10(12,13)14/h1-4H,(H,15,16) |
| InChI Key | PQCSVYRBDRJKHQ-UHFFFAOYSA-N |
| MDL Number | MFCD05863554 |
| Molecular Formula | C10H5ClF3NO |
| Molecular Weight | 247.6010 |
| SMILES | Oc1cc(Cl)c2c(n1)c(ccc2)C(F)(F)F |
| Synonyms | 4-Chloro-2-hydroxy-8-trifluoromethylquinoline,
955288-52-5,
4-Chloro-8-trifluoromethyl-1H-quinolin-2-one,
4-Chloro-8-(trifluoromethyl)quinolin-2(1H)-one,
CTK5H7810,
DTXSID30588861,
QU033,
ZINC2555430,
ZX-AP009791,
MFCD05863554,
AKOS027276133,
AB22518,
PC51039,
T6847,
4-chloro-8-(trifluoromethyl)-1H-quinolin-2-one,
4-chloro-8-(trifluoromethyl)-1,2-dihydroquinolin-2-one,
4-Chloro-1,2-dihydro-2-oxo-8-(trifluoromethyl)quinoline,
4-Chloro-2-hydroxy-8-trifluoromethylquinoline, AldrichCPR,
|
| Complexity | 339 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 247.001g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 247.601g/mol |
| Monoisotopic Mass | 247.001g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 29.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.6 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number