| CAS Number | 842118-59-6 |
| Catalog Number | AG01C3D8 |
| Chemical Name | ethyl 2-(2-fluorophenyl)-4-methyl-1,3-thiazole-5-carboxylate |
| IUPAC Name | ethyl 2-(2-fluorophenyl)-4-methyl-1,3-thiazole-5-carboxylate |
| InChI | InChI=1S/C13H12FNO2S/c1-3-17-13(16)11-8(2)15-12(18-11)9-6-4-5-7-10(9)14/h4-7H,3H2,1-2H3 |
| InChI Key | UDDIKFAFCHKLSL-UHFFFAOYSA-N |
| MDL Number | MFCD06636557 |
| Molecular Formula | C13H12FNO2S |
| Molecular Weight | 265.3033 |
| SMILES | CCOC(C1=C(C)N=C(C2=C(F)C=CC=C2)S1)=O |
| Synonyms | ethyl 2-(2-fluorophenyl)-4-methyl-1,3-thiazole-5-carboxylate,
842118-59-6,
AC1MH5FT,
ZINC4843060,
AKOS000359310,
MCULE-2632009219,
ZINC04843060,
CID2996612,
|
| Complexity | 303 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 265.057g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 265.302g/mol |
| Monoisotopic Mass | 265.057g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 67.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.7 |
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Certificate of Analysis
Lot Number