| CAS Number | 933721-99-4 |
| Catalog Number | AG0063OR(AGN-PC-0WNVTJ) |
| Chemical Name | 6-TRIFLUOROMETHYL-PYRIMIDINE-4-CARBOXYLIC ACID |
| IUPAC Name | 6-(trifluoromethyl)pyrimidine-4-carboxylic acid |
| InChI | InChI=1S/C6H3F3N2O2/c7-6(8,9)4-1-3(5(12)13)10-2-11-4/h1-2H,(H,12,13) |
| InChI Key | IGXLCQPTBOJNPW-UHFFFAOYSA-N |
| MDL Number | MFCD09954922 |
| Molecular Formula | C6H3F3N2O2 |
| Molecular Weight | 192.0954 |
| SMILES | OC(=O)c1ncnc(c1)C(F)(F)F |
| Synonyms | 6-(TRIFLUOROMETHYL)PYRIMIDINE-4-CARBOXYLIC ACID,
933721-99-4,
6-TRIFLUOROMETHYL-PYRIMIDINE-4-CARBOXYLIC ACID,
SCHEMBL7870780,
CTK5H2392,
DTXSID30652970,
MFCD09954922,
ZINC26894640,
AKOS006313511,
AB55596,
SC-29744,
DB-079528,
CS-0057894,
FT-0736247,
6-(trifluoromethyl)-4-Pyrimidine carboxylic acid,
6-(Trifluoromethyl)-pyrimidine-4-carboxylic acid,
Z2740003194,
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| Complexity | 207 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 192.015g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 7 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 192.097g/mol |
| Monoisotopic Mass | 192.015g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 63.1A^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