| CAS Number | 1423027-76-2 |
| Catalog Number | AG01A3AY(AGN-PC-0WO8O9) |
| Chemical Name | 2-Cyclopropyl-4-(trifluoromethyl)-1,3-thiazole-5-carboxylic acid |
| IUPAC Name | 2-cyclopropyl-4-(trifluoromethyl)-1,3-thiazole-5-carboxylic acid |
| InChI | InChI=1S/C8H6F3NO2S/c9-8(10,11)5-4(7(13)14)15-6(12-5)3-1-2-3/h3H,1-2H2,(H,13,14) |
| InChI Key | SKFZITCWKMFWBL-UHFFFAOYSA-N |
| MDL Number | MFCD22741223 |
| Molecular Formula | C8H6F3NO2S |
| Molecular Weight | 237.1989 |
| SMILES | OC(C1=C(C(F)(F)F)N=C(C2CC2)S1)=O |
| Synonyms | 2-cyclopropyl-4-(trifluoromethyl)-1,3-thiazole-5-carboxylic acid,
1423027-76-2,
ZINC75898284,
AKOS023117111,
NE52911,
|
| Complexity | 280 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 237.007g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 7 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 237.196g/mol |
| Monoisotopic Mass | 237.007g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 78.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.3 |
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Certificate of Analysis
Lot Number