| CAS Number | 1072944-80-9 |
| Catalog Number | AG003RTJ(AGN-PC-07XU3D) |
| Chemical Name | Methyl 4-(3-chlorophenyl)-2-methylthiazole-5-carboxylate |
| IUPAC Name | methyl 4-(3-chlorophenyl)-2-methyl-1,3-thiazole-5-carboxylate |
| InChI | InChI=1S/C12H10ClNO2S/c1-7-14-10(11(17-7)12(15)16-2)8-4-3-5-9(13)6-8/h3-6H,1-2H3 |
| InChI Key | GIJNEWPJPSPLDK-UHFFFAOYSA-N |
| MDL Number | MFCD11504928 |
| Molecular Formula | C12H10ClNO2S |
| Molecular Weight | 267.7313 |
| SMILES | COC(=O)c1sc(nc1c1cccc(c1)Cl)C |
| Synonyms | METHYL 4-(3-CHLOROPHENYL)-2-METHYLTHIAZOLE-5-CARBOXYLATE,
1072944-80-9,
ACMC-2098pm,
CTK4A5171,
DTXSID30674738,
ANW-15560,
MFCD11504928,
ZINC38537185,
AKOS015848958,
RTR-001479,
AJ-95950,
AX8229694,
TR-001479,
ST24025331,
Z6983,
I14-25281,
methyl 4-(3-chlorophenyl)-2-methyl-1,3-thiazole-5-carboxylate,
C12H10ClNO2S,
A-4475,
METHYL4-(3-CHLOROPHENYL)-2-METHYLTHIAZOLE-5-CARBOXYLATE,
|
| Complexity | 290 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 267.012g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 267.727g/mol |
| Monoisotopic Mass | 267.012g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 67.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.8 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number