| CAS Number | 1820748-57-9 |
| Catalog Number | AG00I159(AGN-PC-0WR47C) |
| Chemical Name | N'-((2,6-dichloropyridin-3-yl)methylene)-4-methylbenzenesulfonohydrazide |
| IUPAC Name | N-[(2,6-dichloropyridin-3-yl)methylideneamino]-4-methylbenzenesulfonamide |
| InChI | InChI=1S/C13H11Cl2N3O2S/c1-9-2-5-11(6-3-9)21(19,20)18-16-8-10-4-7-12(14)17-13(10)15/h2-8,18H,1H3 |
| InChI Key | GYBDDWOJOWYJHQ-UHFFFAOYSA-N |
| MDL Number | MFCD26940390 |
| Molecular Formula | C13H11Cl2N3O2S |
| Molecular Weight | 344.2163 |
| SMILES | c1c(nc(c(c1)/C=N/NS(=O)(=O)c1ccc(cc1)C)Cl)Cl |
| Synonyms | N'-((2,6-Dichloropyridin-3-yl)methylene)-4-methylbenzenesulfonohydrazide,
1820748-57-9,
|
| Complexity | 459 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 342.995g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 21 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 344.21g/mol |
| Monoisotopic Mass | 342.995g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 79.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 1 |
| XLogP3 | 3.7 |
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Certificate of Analysis
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