| CAS Number | 176214-14-5 |
| Catalog Number | AG0024IB(AGN-PC-0NBWPG) |
| Chemical Name | Pyrimidine, 2-methoxy-5-(trifluoromethyl)- |
| IUPAC Name | 2-methoxy-5-(trifluoromethyl)pyrimidine |
| InChI | InChI=1S/C6H5F3N2O/c1-12-5-10-2-4(3-11-5)6(7,8)9/h2-3H,1H3 |
| InChI Key | JQUJIMFLPIMCIS-UHFFFAOYSA-N |
| MDL Number | MFCD11848043 |
| Molecular Formula | C6H5F3N2O |
| Molecular Weight | 178.1119 |
| SMILES | C(F)(F)(F)c1cnc(nc1)OC |
| Synonyms | 2-methoxy-5-(trifluoromethyl)pyrimidine,
176214-14-5,
2-METHOXY-5-TRIFLUOROMETHYL-PYRIMIDINE,
Pyrimidine,2-methoxy-5-(trifluoromethyl)-,
CTK4D6113,
DTXSID70446370,
2-methoxy-5-trifluoromethylpyrimidine,
5888AD,
ZINC34540636,
AKOS022181789,
AJ-89186,
SC-30128,
Pyrimidine, 2-methoxy-5-(trifluoromethyl)-,
C6H5F3N2O,
CID10866896,
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| Complexity | 142 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 178.035g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 178.114g/mol |
| Monoisotopic Mass | 178.035g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 35A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.4 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number