| CAS Number | 1033202-62-8 |
| Catalog Number | AG003EWL(AGN-PC-0WA55N) |
| Chemical Name | 2-(4-Methoxybenzyloxy)-5-(trifluoromethyl)pyridine |
| IUPAC Name | 2-[(4-methoxyphenyl)methoxy]-5-(trifluoromethyl)pyridine |
| InChI | InChI=1S/C14H12F3NO2/c1-19-12-5-2-10(3-6-12)9-20-13-7-4-11(8-18-13)14(15,16)17/h2-8H,9H2,1H3 |
| InChI Key | ACZASXZHQDCDLJ-UHFFFAOYSA-N |
| MDL Number | MFCD10699714 |
| Molecular Formula | C14H12F3NO2 |
| Molecular Weight | 283.2458 |
| SMILES | COc1ccc(cc1)COc1ccc(cn1)C(F)(F)F |
| Synonyms | 2-(4-METHOXYBENZYLOXY)-5-(TRIFLUOROMETHYL)PYRIDINE,
1033202-62-8,
ACMC-20986s,
SCHEMBL16838859,
CTK4A1986,
DTXSID70674454,
ANW-14882,
MFCD10699714,
ZINC38537014,
AKOS015852059,
RTR-000792,
TR-000792,
Z6648,
A-4273,
I01-11587,
2-[(4-methoxyphenyl)methoxy]-5-(trifluoromethyl)pyridine,
C14H12F3NO2,
|
| Complexity | 291 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 283.082g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 20 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 283.25g/mol |
| Monoisotopic Mass | 283.082g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 31.4A^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