| CAS Number | 1007583-32-5 |
| Catalog Number | AG019DVN(AGN-PC-0WBRCM) |
| Chemical Name | 2-Bromo-4-(4-nitrophenyl)thiazole |
| IUPAC Name | 2-bromo-4-(4-nitrophenyl)-1,3-thiazole |
| InChI | InChI=1S/C9H5BrN2O2S/c10-9-11-8(5-15-9)6-1-3-7(4-2-6)12(13)14/h1-5H |
| InChI Key | ZKPIOCWAPFGAHW-UHFFFAOYSA-N |
| MDL Number | MFCD09746537 |
| Molecular Formula | C9H5BrN2O2S |
| Molecular Weight | 285.1172 |
| SMILES | [O-][N+](C1=CC=C(C2N=C(Br)SC=2)C=C1)=O |
| Synonyms | 2-Bromo-4-(4-nitrophenyl)thiazole,
1007583-32-5,
2-bromo-4-(4-nitrophenyl)-1,3-thiazole,
SCHEMBL4075558,
ZKPIOCWAPFGAHW-UHFFFAOYSA-N,
ZINC96394972,
AKOS017345228,
|
| Complexity | 241 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 283.926g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 285.115g/mol |
| Monoisotopic Mass | 283.926g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 87A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.8 |
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Certificate of Analysis
Lot Number