| CAS Number | 1094263-32-7 |
| Catalog Number | AG019VUP |
| Chemical Name | 2-(3,4-Dichlorophenyl)-1,3-thiazole-4-carboxylic acid |
| IUPAC Name | 2-(3,4-dichlorophenyl)-1,3-thiazole-4-carboxylic acid |
| InChI | InChI=1S/C10H5Cl2NO2S/c11-6-2-1-5(3-7(6)12)9-13-8(4-16-9)10(14)15/h1-4H,(H,14,15) |
| InChI Key | DWDLMDDOUHTLON-UHFFFAOYSA-N |
| MDL Number | MFCD11179454 |
| Molecular Formula | C10H5Cl2NO2S |
| Molecular Weight | 274.1232 |
| SMILES | OC(C1N=C(C2=CC(Cl)=C(Cl)C=C2)SC=1)=O |
| Synonyms | 2-(3,4-dichlorophenyl)-1,3-thiazole-4-carboxylic acid,
1094263-32-7,
CTK7J0736,
AC1Q7426,
ZINC36893226,
AKOS008122047,
MCULE-2633532880,
NE18392,
EN300-49576,
2-(3,4-Dichlorophenyl)thiazole-4-carboxylic acid,
|
| Complexity | 280 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 272.942g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 274.115g/mol |
| Monoisotopic Mass | 272.942g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 78.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number