| CAS Number | 2138118-42-8 |
| Catalog Number | AG01EJM5 |
| Chemical Name | 3-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]aniline hydrochloride |
| IUPAC Name | 3-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]aniline;hydrochloride |
| InChI | InChI=1S/C15H11ClN2S.ClH/c16-12-6-4-10(5-7-12)14-9-19-15(18-14)11-2-1-3-13(17)8-11;/h1-9H,17H2;1H |
| InChI Key | FQJMJQGVZPAWMG-UHFFFAOYSA-N |
| MDL Number | MFCD20478263 |
| Molecular Formula | C15H12Cl2N2S |
| Molecular Weight | 323.2402 |
| SMILES | Cl.NC1=CC(C2SC=C(C3=CC=C(Cl)C=C3)N=2)=CC=C1 |
| Synonyms | 3-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]aniline hydrochloride,
2138118-42-8,
|
| Complexity | 294 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 322.01g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 20 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 323.235g/mol |
| Monoisotopic Mass | 322.01g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 67.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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