| CAS Number | 1387473-42-8 |
| Catalog Number | AG01FE6R(AGN-PC-3H4A10) |
| Chemical Name | 2-(3-Nitrophenyl)-4-phenylthiazole |
| IUPAC Name | 2-(3-nitrophenyl)-4-phenyl-1,3-thiazole |
| InChI | InChI=1S/C15H10N2O2S/c18-17(19)13-8-4-7-12(9-13)15-16-14(10-20-15)11-5-2-1-3-6-11/h1-10H |
| InChI Key | MGZHPLBTZVVENQ-UHFFFAOYSA-N |
| MDL Number | MFCD27978261 |
| Molecular Formula | C15H10N2O2S |
| Molecular Weight | 282.3171 |
| SMILES | [O-][N+](=O)c1cccc(c1)c1scc(n1)c1ccccc1 |
| Synonyms | 2-(3-Nitrophenyl)-4-phenylthiazole,
1387473-42-8,
ZINC48640646,
AKOS008776784,
2-(3-Nitrophenyl)-4-phenyl-thiazole, AldrichCPR,
|
| Complexity | 341 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 282.046g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 20 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 282.317g/mol |
| Monoisotopic Mass | 282.046g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 87A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.1 |
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Certificate of Analysis
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