| CAS Number | 15911-29-2 |
| Catalog Number | AG00XDDH(AGN-PC-00OOSK) |
| Chemical Name | 4-Methyl-2-(3-nitrophenyl)thiazole-5-carboxylic acid |
| IUPAC Name | 4-methyl-2-(3-nitrophenyl)-1,3-thiazole-5-carboxylic acid |
| InChI | InChI=1S/C11H8N2O4S/c1-6-9(11(14)15)18-10(12-6)7-3-2-4-8(5-7)13(16)17/h2-5H,1H3,(H,14,15) |
| InChI Key | WACFYBGWPDPPJY-UHFFFAOYSA-N |
| MDL Number | MFCD12114475 |
| Molecular Formula | C11H8N2O4S |
| Molecular Weight | 264.2572 |
| SMILES | S1C(C(=O)O)=C(C)N=C1C1C=CC=C([N+]([O-])=O)C=1 |
| Synonyms | 4-Methyl-2-(3-nitrophenyl)thiazole-5-carboxylic acid,
15911-29-2,
SCHEMBL8866822,
WACFYBGWPDPPJY-UHFFFAOYSA-N,
ZINC34515256,
4-methyl-2-(3-nitrophenyl)-5-thiazolecarboxylic acid,
4-methyl-2-(3-nitrophenyl)-1,3-thiazole-5-carboxylic acid,
4-Methyl-2-(3-nitrophenyl)-thiazole-5-carboxylic acid, AldrichCPR,
|
| Complexity | 346 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 264.02g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 264.255g/mol |
| Monoisotopic Mass | 264.02g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 124A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number