| CAS Number | 247573-71-3 |
| Catalog Number | AG002PBP(AGN-PC-0WA58D) |
| Chemical Name | 2-(Benzyloxy)-5-(trifluoromethyl)pyridine |
| IUPAC Name | 2-phenylmethoxy-5-(trifluoromethyl)pyridine |
| InChI | InChI=1S/C13H10F3NO/c14-13(15,16)11-6-7-12(17-8-11)18-9-10-4-2-1-3-5-10/h1-8H,9H2 |
| InChI Key | GTCSVNJYAKOGBO-UHFFFAOYSA-N |
| MDL Number | MFCD02948742 |
| Molecular Formula | C13H10F3NO |
| Molecular Weight | 253.2198 |
| SMILES | FC(c1ccc(nc1)OCc1ccccc1)(F)F |
| Synonyms | 2-(BENZYLOXY)-5-(TRIFLUOROMETHYL)PYRIDINE,
247573-71-3,
ACMC-209geh,
SCHEMBL8429140,
CTK4F4343,
DTXSID50590981,
ANW-25527,
MFCD02948742,
ZINC38537174,
AKOS015839455,
FCH3046550,
RTR-011393,
ACM247573713,
TR-011393,
V4655,
Pyridine, 2-(phenylmethoxy)-5-(trifluoromethyl)-,
I02-3339,
2- -5- PYRIDINE,
C13H10F3NO,
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| Complexity | 251 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 253.071g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 253.224g/mol |
| Monoisotopic Mass | 253.071g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 22.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.5 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number