| CAS Number | 1468470-94-1 |
| Catalog Number | AG01AG0V |
| Chemical Name | methyl 4-amino-3-(2-fluorophenyl)-1,2-thiazole-5-carboxylate |
| IUPAC Name | methyl 4-amino-3-(2-fluorophenyl)-1,2-thiazole-5-carboxylate |
| InChI | InChI=1S/C11H9FN2O2S/c1-16-11(15)10-8(13)9(14-17-10)6-4-2-3-5-7(6)12/h2-5H,13H2,1H3 |
| InChI Key | PKOKDKIZBJAGNI-UHFFFAOYSA-N |
| MDL Number | MFCD21555154 |
| Molecular Formula | C11H9FN2O2S |
| Molecular Weight | 252.2648 |
| SMILES | COC(C1=C(N)C(C2=C(F)C=CC=C2)=NS1)=O |
| Synonyms | methyl 4-amino-3-(2-fluorophenyl)-1,2-thiazole-5-carboxylate,
1468470-94-1,
ZINC88645776,
AKOS014977567,
NE34499,
|
| Complexity | 293 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 252.037g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 252.263g/mol |
| Monoisotopic Mass | 252.037g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 93.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.8 |
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Certificate of Analysis
Lot Number