| CAS Number | 886368-65-6 |
| Catalog Number | AG00GS55(AGN-PC-0WG3UM) |
| Chemical Name | 2-(4-(Trifluoromethoxy)phenyl)thiazole-4-carboxylic acid |
| IUPAC Name | 2-[4-(trifluoromethoxy)phenyl]-1,3-thiazole-4-carboxylic acid |
| InChI | InChI=1S/C11H6F3NO3S/c12-11(13,14)18-7-3-1-6(2-4-7)9-15-8(5-19-9)10(16)17/h1-5H,(H,16,17) |
| InChI Key | LVFNYXNUAQRSFP-UHFFFAOYSA-N |
| MDL Number | MFCD07375283 |
| Molecular Formula | C11H6F3NO3S |
| Molecular Weight | 289.2304 |
| SMILES | C(=O)(O)c1nc(sc1)c1ccc(cc1)OC(F)(F)F |
| Synonyms | 886368-65-6,
2-(4-TRIFLUOROMETHOXY-PHENYL)-THIAZOLE-4-CARBOXYLIC ACID,
2-(4-(Trifluoromethoxy)phenyl)thiazole-4-carboxylic acid,
2-[4-(TRIFLUOROMETHOXY)PHENYL]-1,3-THIAZOLE-4-CARBOXYLIC ACID,
MFCD07375283,
ZINC37309018,
AB41591,
AM805109,
AS-39520,
CS-0038307,
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| Complexity | 332 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 289.002g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 8 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 289.228g/mol |
| Monoisotopic Mass | 289.002g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 87.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.7 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number