| CAS Number | 854137-57-8 |
| Catalog Number | AG00IDNM |
| Chemical Name | 2-(3-chlorophenyl)-4-methyl-1,3-thiazole-5-carboxylic Acid |
| IUPAC Name | 2-(3-chlorophenyl)-4-methyl-1,3-thiazole-5-carboxylic acid |
| InChI | InChI=1S/C11H8ClNO2S/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 | PSIJLNNFMPSGMR-UHFFFAOYSA-N |
| MDL Number | MFCD06857929 |
| Molecular Formula | C11H8ClNO2S |
| Molecular Weight | 253.7047 |
| SMILES | CC1=C(C(O)=O)SC(C2=CC(Cl)=CC=C2)=N1 |
| Synonyms | 2-(3-chlorophenyl)-4-methyl-1,3-thiazole-5-carboxylic Acid,
854137-57-8,
2-(3-Chlorophenyl)-4-methylthiazole-5-carboxylic acid,
AC1NLQTC,
AC1Q2GEU,
4-Methyl-2-(3-chlorophenyl)thiazole-5-carboxylic acid,
CTK6H2471,
ZINC4206842,
MFCD06857929,
STL302019,
AKOS000118331,
MCULE-9788266503,
NE35381,
EN300-13652,
Z90662845,
F1967-1395,
CID4962563,
|
| Complexity | 277 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 252.996g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 253.7g/mol |
| Monoisotopic Mass | 252.996g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 78.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number