| CAS Number | 835903-14-5 |
| Catalog Number | AG0057EO(AGN-PC-05OZPV) |
| Chemical Name | 6-(Trifluoromethyl)quinolin-2-ol |
| IUPAC Name | 6-(trifluoromethyl)-1H-quinolin-2-one |
| InChI | InChI=1S/C10H6F3NO/c11-10(12,13)7-2-3-8-6(5-7)1-4-9(15)14-8/h1-5H,(H,14,15) |
| InChI Key | CPOPNSYBDVMTGJ-UHFFFAOYSA-N |
| MDL Number | MFCD09038086 |
| Molecular Formula | C10H6F3NO |
| Molecular Weight | 213.1559 |
| SMILES | c1cc(=O)[nH]c2c1cc(cc2)C(F)(F)F |
| Synonyms | 835903-14-5,
6-(TRIFLUOROMETHYL)QUINOLIN-2(1H)-ONE,
2(1H)-Quinolinone, 6-(trifluoromethyl)-,
2(1H)-Quinolinone,6-(trifluoromethyl)-,
C10H6F3NO,
SCHEMBL3777284,
CTK5F0885,
DTXSID00652866,
CPOPNSYBDVMTGJ-UHFFFAOYSA-N,
MFCD11108684,
ZINC26474751,
2-Hydroxy-6-(trifluoromethyl)quinoline,
6-(TRIFLUOROMETHYL)QUINOLIN-2-OL,
6-(trifluoromethyl)-1,2-dihydroquinolin-2-one,
6-(TRIFLUOROMETHYL)-1H-QUINOLIN-2-ONE,
6- QUINOLIN-2 -ONE,
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| Complexity | 298 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 213.04g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 213.159g/mol |
| Monoisotopic Mass | 213.04g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 29.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.1 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
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