| CAS Number | 457607-49-7 |
| Catalog Number | AG01BR6P |
| Chemical Name | N'-[(3,4-difluorophenyl)methylidene]-4-methylbenzene-1-sulfonohydrazide |
| IUPAC Name | N-[(3,4-difluorophenyl)methylideneamino]-4-methylbenzenesulfonamide |
| InChI | InChI=1S/C14H12F2N2O2S/c1-10-2-5-12(6-3-10)21(19,20)18-17-9-11-4-7-13(15)14(16)8-11/h2-9,18H,1H3 |
| InChI Key | DLCMEUWLOKXAOS-UHFFFAOYSA-N |
| MDL Number | MFCD10182994 |
| Molecular Formula | C14H12F2N2O2S |
| Molecular Weight | 310.3191 |
| SMILES | c1(c(ccc(c1)/C=N/NS(=O)(=O)c1ccc(cc1)C)F)F |
| Synonyms | N'-[(3,4-difluorophenyl)methylidene]-4-methylbenzene-1-sulfonohydrazide,
457607-49-7,
|
| Complexity | 456 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 310.059g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 21 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 310.319g/mol |
| Monoisotopic Mass | 310.059g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 66.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 1 |
| XLogP3 | 3.1 |
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