| CAS Number | 41450-34-4 |
| Catalog Number | AG00I83M(AGN-PC-0WR10N) |
| Chemical Name | 2-(2-Amino-5-nitrophenyl)-4-phenylthiazole |
| IUPAC Name | 4-nitro-2-(4-phenyl-1,3-thiazol-2-yl)aniline |
| InChI | InChI=1S/C15H11N3O2S/c16-13-7-6-11(18(19)20)8-12(13)15-17-14(9-21-15)10-4-2-1-3-5-10/h1-9H,16H2 |
| InChI Key | FSEYQHXDVSVHJO-UHFFFAOYSA-N |
| MDL Number | MFCD28166179 |
| Molecular Formula | C15H11N3O2S |
| Molecular Weight | 297.3317 |
| SMILES | S1C=C(C2C=CC=CC=2)N=C1C1C=C([N+]([O-])=O)C=CC=1N |
| Synonyms | 41450-34-4,
4-Nitro-2-(4-phenylthiazol-2-yl)aniline,
2-(2-Amino-5-nitrophenyl)-4-phenylthiazole,
ZINC219036220,
4-Nitro-2-(4-phenyl-2-thiazolyl)aniline,
|
| Complexity | 370 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 297.057g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 21 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 297.332g/mol |
| Monoisotopic Mass | 297.057g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 113A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number