| CAS Number | 1018520-26-7 |
| Catalog Number | AG01A851(AGN-PC-0WO51Z) |
| Chemical Name | 2-(2-Chlorophenyl)thiazole-5-carboxylic acid |
| IUPAC Name | 2-(2-chlorophenyl)-1,3-thiazole-5-carboxylic acid |
| InChI | InChI=1S/C10H6ClNO2S/c11-7-4-2-1-3-6(7)9-12-5-8(15-9)10(13)14/h1-5H,(H,13,14) |
| InChI Key | CCUVOOGGOGDFOA-UHFFFAOYSA-N |
| MDL Number | MFCD07376793 |
| Molecular Formula | C10H6ClNO2S |
| Molecular Weight | 239.6781 |
| SMILES | OC(C1SC(C2=C(Cl)C=CC=C2)=NC=1)=O |
| Synonyms | 2-(2-chlorophenyl)-1,3-thiazole-5-carboxylic acid,
1018520-26-7,
2-(2-chlorophenyl)thiazole-5-carboxylic acid,
AC1Q73Z2,
CTK6H3227,
MFCD07376793,
SBB099165,
ZINC19948419,
AKOS008124373,
MCULE-5132730806,
NE44650,
EN300-60747,
2-(2-Chloro-phenyl)-thiazole-5-carboxylic acid,
5-thiazolecarboxylic acid, 2-(2-chlorophenyl),
|
| Complexity | 252 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 238.981g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 239.673g/mol |
| Monoisotopic Mass | 238.981g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 78.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number