| CAS Number | 75230-49-8 |
| Catalog Number | AG01DTTL |
| Chemical Name | N-(1-(4-fluorophenyl)ethylidene)-4-methylbenzenesulfonohydrazide |
| IUPAC Name | N'-(4-fluorophenyl)-4-methylbenzenesulfonohydrazide |
| InChI | InChI=1S/C13H13FN2O2S/c1-10-2-8-13(9-3-10)19(17,18)16-15-12-6-4-11(14)5-7-12/h2-9,15-16H,1H3 |
| InChI Key | XYPJBSOFSORYJQ-UHFFFAOYSA-N |
| MDL Number | MFCD01353344 |
| Molecular Formula | C15H15FN2O2S |
| Molecular Weight | 306.3552 |
| SMILES | c1c(ccc(c1)/C(=N/NS(=O)(=O)c1ccc(cc1)C)/C)F |
| Synonyms | 75230-49-8,
N'-(4-Fluorophenyl)-4-methylbenzenesulfonohydrazide,
N'-(4-Fluorophenyl)-p-toluenesulfonic acid hydrazide,
N-(1-(4-fluorophenyl)ethylidene)-4-methylbenzenesulfonohydrazide,
|
| Complexity | 367 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 280.068g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 280.317g/mol |
| Monoisotopic Mass | 280.068g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 66.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.2 |
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Certificate of Analysis
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