| CAS Number | 399017-10-8 |
| Catalog Number | AG00CLRW(AGN-PC-0RL61O) |
| Chemical Name | 2-(4-Hydroxyphenyl)-4-methylthiazole-5-carboxylic acid ethyl ester hydrochloride |
| IUPAC Name | ethyl 2-(4-hydroxyphenyl)-4-methyl-1,3-thiazole-5-carboxylate;hydrochloride |
| InChI | InChI=1S/C13H13NO3S.ClH/c1-3-17-13(16)11-8(2)14-12(18-11)9-4-6-10(15)7-5-9;/h4-7,15H,3H2,1-2H3;1H |
| InChI Key | FNHJNGXGYJUCHA-UHFFFAOYSA-N |
| MDL Number | MFCD28384145 |
| Molecular Formula | C13H14ClNO3S |
| Molecular Weight | 299.7732 |
| SMILES | Cl.OC1=CC=C(C=C1)C=1SC(=C(N1)C)C(=O)OCC |
| Synonyms | 399017-10-8,
Ethyl 2-(4-Hydroxyphenyl)-4-methylthiazole-5-carboxylate Hydrochloride,
2-(4-Hydroxyphenyl)-4-methylthiazole-5-carboxylic Acid Ethyl Ester Hydrochloride,
MFCD28384145,
AKOS027252963,
E1049,
|
| Complexity | 292 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 299.038g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 299.769g/mol |
| Monoisotopic Mass | 299.038g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 87.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
Lot Number