| CAS Number | 99797-29-2 |
| Catalog Number | AG01DWY2(AGN-PC-00N5PF) |
| Chemical Name | 2-chloro-4-[4-(propan-2-yl)phenyl]-1,3-thiazole |
| IUPAC Name | 2-chloro-4-(4-propan-2-ylphenyl)-1,3-thiazole |
| InChI | InChI=1S/C12H12ClNS/c1-8(2)9-3-5-10(6-4-9)11-7-15-12(13)14-11/h3-8H,1-2H3 |
| InChI Key | VIWCAQCGCNPYLM-UHFFFAOYSA-N |
| MDL Number | MFCD09746438 |
| Molecular Formula | C12H12ClNS |
| Molecular Weight | 237.7484 |
| SMILES | CC(C1=CC=C(C2N=C(Cl)SC=2)C=C1)C |
| Synonyms | 2-chloro-4-(4-isopropylphenyl)thiazole,
99797-29-2,
AKOS012239425,
2-chloro-4-(4-isopropylphenyl)-1,3-thiazole,
|
| Complexity | 202 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 237.038g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 237.745g/mol |
| Monoisotopic Mass | 237.038g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 41.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.7 |
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