| CAS Number | 927974-39-8 |
| Catalog Number | AG01EZB7(AGN-PC-3H48J9) |
| Chemical Name | 2-(3-Bromophenyl)-4-methylthiazole-5-carboxylic acid |
| IUPAC Name | 2-(3-bromophenyl)-4-methyl-1,3-thiazole-5-carboxylic acid |
| InChI | InChI=1S/C11H8BrNO2S/c1-6-9(11(14)15)16-10(13-6)7-3-2-4-8(12)5-7/h2-5H,1H3,(H,14,15) |
| InChI Key | SUQBOUSBANHDAL-UHFFFAOYSA-N |
| MDL Number | MFCD06857947 |
| Molecular Formula | C11H8BrNO2S |
| Molecular Weight | 298.1557 |
| SMILES | C1(C(O)=O)=C(C)N=C(C2C=CC=C(Br)C=2)S1 |
| Synonyms | 927974-39-8,
4-Methyl-2-(3-bromophenyl)thiazole-5-carboxylic acid,
2-(3-Bromophenyl)-4-methylthiazole-5-carboxylic acid,
AC1NLFH1,
2-(3-bromophenyl)-4-methyl-1,3-thiazole-5-carboxylic Acid,
ZINC5592392,
AKOS002669788,
CID4980415,
|
| Complexity | 277 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 296.946g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 298.154g/mol |
| Monoisotopic Mass | 296.946g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 78.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number