| CAS Number | 1188122-55-5 |
| Catalog Number | AG01DTEA |
| Chemical Name | 2-chloro-4-(3-nitrophenyl)-1,3-thiazole |
| IUPAC Name | 2-chloro-4-(3-nitrophenyl)-1,3-thiazole |
| InChI | InChI=1S/C9H5ClN2O2S/c10-9-11-8(5-15-9)6-2-1-3-7(4-6)12(13)14/h1-5H |
| InChI Key | YKJLHPOQANIGHK-UHFFFAOYSA-N |
| MDL Number | MFCD09746539 |
| Molecular Formula | C9H5ClN2O2S |
| Molecular Weight | 240.6662 |
| SMILES | [O-][N+](C1=CC(C2N=C(Cl)SC=2)=CC=C1)=O |
| Synonyms | 2-chloro-4-(3-nitrophenyl)thiazole,
1188122-55-5,
AKOS012239992,
|
| Complexity | 249 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 239.976g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 240.661g/mol |
| Monoisotopic Mass | 239.976g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 87A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number