| CAS Number | 1202980-50-4 |
| Catalog Number | AG008UI9(AGN-PC-086G8Z) |
| Chemical Name | 2-Methoxy-4-(trifluoromethyl)pyrimidine-5-carboxylic acid |
| IUPAC Name | 2-methoxy-4-(trifluoromethyl)pyrimidine-5-carboxylic acid |
| InChI | InChI=1S/C7H5F3N2O3/c1-15-6-11-2-3(5(13)14)4(12-6)7(8,9)10/h2H,1H3,(H,13,14) |
| InChI Key | QGZIXDLZSGCXCA-UHFFFAOYSA-N |
| MDL Number | MFCD12827696 |
| Molecular Formula | C7H5F3N2O3 |
| Molecular Weight | 222.1214 |
| SMILES | COC1=NC(C(F)(F)F)=C(C(O)=O)C=N1 |
| Synonyms | 2-METHOXY-4-(TRIFLUOROMETHYL)PYRIMIDINE-5-CARBOXYLIC ACID,
1202980-50-4,
PubChem16994,
SCHEMBL1760025,
DTXSID60678481,
ZINC44831834,
AJ-110194,
AX8248763,
C-0048,
5-Pyrimidinecarboxylic acid, 2-methoxy-4-(trifluoromethyl)-,
QGZIXDLZSGCXCA-UHFFFAOYSA-N,
2-Methoxy-4-(trifluoromethyl)pyrimidine-5-carboxylicacid,
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| Complexity | 246 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 222.025g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 8 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 222.123g/mol |
| Monoisotopic Mass | 222.025g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 72.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number