| CAS Number | 1018297-66-9 |
| Catalog Number | AG01AFE3 |
| Chemical Name | 2-[(2-fluorophenyl)methyl]-1,3-thiazole-5-carboxylic acid |
| IUPAC Name | 2-[(2-fluorophenyl)methyl]-1,3-thiazole-5-carboxylic acid |
| InChI | InChI=1S/C11H8FNO2S/c12-8-4-2-1-3-7(8)5-10-13-6-9(16-10)11(14)15/h1-4,6H,5H2,(H,14,15) |
| InChI Key | DKFZXXPYPJEKOG-UHFFFAOYSA-N |
| MDL Number | MFCD10008833 |
| Molecular Formula | C11H8FNO2S |
| Molecular Weight | 237.2501 |
| SMILES | OC(C1SC(CC2=C(F)C=CC=C2)=NC=1)=O |
| Synonyms | 2-[(2-fluorophenyl)methyl]-1,3-thiazole-5-carboxylic acid,
1018297-66-9,
ZINC19948432,
AKOS010814777,
NE20595,
|
| Complexity | 264 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 237.026g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 237.248g/mol |
| Monoisotopic Mass | 237.026g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 78.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.9 |
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Certificate of Analysis
Lot Number