| CAS Number | 362469-45-2 |
| Catalog Number | AG00C7LD(AGN-PC-0WCRAV) |
| Chemical Name | (2-(Trifluoromethyl)quinolin-4-yl)methanol |
| IUPAC Name | [2-(trifluoromethyl)quinolin-4-yl]methanol |
| InChI | InChI=1S/C11H8F3NO/c12-11(13,14)10-5-7(6-16)8-3-1-2-4-9(8)15-10/h1-5,16H,6H2 |
| InChI Key | BUDRHPWUUSCWLP-UHFFFAOYSA-N |
| MDL Number | MFCD12197300 |
| Molecular Formula | C11H8F3NO |
| Molecular Weight | 227.1825 |
| SMILES | OCC1=CC(C(F)(F)F)=NC2=CC=CC=C12 |
| Synonyms | (2-(Trifluoromethyl)quinolin-4-yl)methanol,
362469-45-2,
[2-(trifluoromethyl)quinolin-4-yl]methanol,
SCHEMBL3618520,
BUDRHPWUUSCWLP-UHFFFAOYSA-N,
(trifluoromethyl)-4-quinolinemethanol,
ZINC71788837,
AKOS027422667,
4-(hydroxymethyl)-2-(trifluoromethyl)quinoline,
(2-(Trifluoromethyl)quinolin-4-yl)methanol, 97% - 1G 1g,
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| Complexity | 244 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 227.056g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 227.186g/mol |
| Monoisotopic Mass | 227.056g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 33.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.2 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
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