| CAS Number | 1261471-73-1 |
| Catalog Number | AG000RS3(AGN-PC-0WCXTJ) |
| Chemical Name | 3-(trifluoromethyl)quinolin-7-ol |
| IUPAC Name | 3-(trifluoromethyl)quinolin-7-ol |
| InChI | InChI=1S/C10H6F3NO/c11-10(12,13)7-3-6-1-2-8(15)4-9(6)14-5-7/h1-5,15H |
| InChI Key | NOJXIJQJMUICLV-UHFFFAOYSA-N |
| MDL Number | MFCD18417204 |
| Molecular Formula | C10H6F3NO |
| Molecular Weight | 213.1559 |
| SMILES | OC1=CC=C2C=C(C(F)(F)F)C=NC2=C1 |
| Synonyms | 3-(trifluoromethyl)quinolin-7-ol,
1261471-73-1,
SCHEMBL20480386,
7-Quinolinol, 3-(trifluoromethyl)-,
MFCD18417204,
ZINC238668620,
7-Hydroxy-3-(trifluoromethyl)quinoline,
AK174536,
AS-32842,
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| Complexity | 231 |
| 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 | 5 |
| 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 | 33.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.7 |
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Certificate of Analysis
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