| CAS Number | 887409-11-2 |
| Catalog Number | AG00GTHV(AGN-PC-0WADAC) |
| Chemical Name | 4-Cyclopropyl-2-(trifluoromethyl)pyrimidine-5-carboxylic acid ethyl ester |
| IUPAC Name | ethyl 4-cyclopropyl-2-(trifluoromethyl)pyrimidine-5-carboxylate |
| InChI | InChI=1S/C11H11F3N2O2/c1-2-18-9(17)7-5-15-10(11(12,13)14)16-8(7)6-3-4-6/h5-6H,2-4H2,1H3 |
| InChI Key | LMPVTQRVSPFCJM-UHFFFAOYSA-N |
| MDL Number | MFCD07367384 |
| Molecular Formula | C11H11F3N2O2 |
| Molecular Weight | 260.2124 |
| SMILES | CCOC(=O)C1=CN=C(N=C1C1CC1)C(F)(F)F |
| Synonyms | 887409-11-2,
ethyl 4-cyclopropyl-2-(trifluoromethyl)pyrimidine-5-carboxylate,
4-Cyclopropyl-2-(trifluoromethyl)pyrimidine-5-carboxylic acid ethyl ester,
ZINC8700168,
BBL100563,
MFCD07367384,
STL554357,
AKOS005255191,
AS-43359,
X-4032,
Ethyl 2-trifluoromethyl-4-cyclopropylpyrimidine-5-carboxylate,
ETHYL-2-TRIFLUOROMETHYL-4-CYCLOPROPYL-5-PYRIMIDINE CARBOXYLATE,
C11H11F3N2O2,
|
| Complexity | 318 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 260.077g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 7 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 260.216g/mol |
| Monoisotopic Mass | 260.077g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 52.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number