| CAS Number | 59108-09-7 |
| Catalog Number | AG003MOF(AGN-PC-0SRAE8) |
| Chemical Name | 5-Chloro-8-methyl-2-(trifluoromethyl)quinolin-4-OL |
| IUPAC Name | 5-chloro-8-methyl-2-(trifluoromethyl)-1H-quinolin-4-one |
| InChI | InChI=1S/C11H7ClF3NO/c1-5-2-3-6(12)9-7(17)4-8(11(13,14)15)16-10(5)9/h2-4H,1H3,(H,16,17) |
| InChI Key | DUBOQUSBINLJOK-UHFFFAOYSA-N |
| MDL Number | MFCD11053825 |
| Molecular Formula | C11H7ClF3NO |
| Molecular Weight | 261.6276 |
| SMILES | Cc1ccc(c2c1nc(cc2O)C(F)(F)F)Cl |
| Synonyms | 5-CHLORO-8-METHYL-2-(TRIFLUOROMETHYL)QUINOLIN-4-OL,
59108-09-7,
5-chloro-8-methyl-2-(trifluoromethyl)-1H-quinolin-4-one,
ACMC-209maa,
CTK5A9449,
DTXSID60656284,
ANW-33152,
MFCD11053825,
ZINC36912517,
AKOS015850153,
AJ-93435,
AN-39677,
AX8168437,
TR-020508,
V6809,
108C097,
4-Quinolinol,5-chloro-8-methyl-2-(trifluoromethyl)-,
5-Chloro-8-methyl-2-(trifluoromethyl)quinolin-4(1H)-one,
C11H7ClF3NO,
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| Complexity | 366 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 261.017g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 261.628g/mol |
| Monoisotopic Mass | 261.017g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 29.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.4 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number