| CAS Number | 1094320-72-5 |
| Catalog Number | AG01EL8Y |
| Chemical Name | 2-(5-bromo-2-methoxyphenyl)-1,3-thiazole-5-carboxylic acid |
| IUPAC Name | 2-(5-bromo-2-methoxyphenyl)-1,3-thiazole-5-carboxylic acid |
| InChI | InChI=1S/C11H8BrNO3S/c1-16-8-3-2-6(12)4-7(8)10-13-5-9(17-10)11(14)15/h2-5H,1H3,(H,14,15) |
| InChI Key | FCUVWLKDBVRXIK-UHFFFAOYSA-N |
| MDL Number | MFCD11208450 |
| Molecular Formula | C11H8BrNO3S |
| Molecular Weight | 314.1551 |
| SMILES | COC1=C(C2SC(C(O)=O)=CN=2)C=C(Br)C=C1 |
| Synonyms | ZINC36930160,
AKOS009332849,
2-(5-bromo-2-methoxyphenyl)-1,3-thiazole-5-carboxylic acid,
1094320-72-5,
|
| Complexity | 292 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 312.941g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 314.153g/mol |
| Monoisotopic Mass | 312.941g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 87.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number