| CAS Number | 1892461-49-2 |
| Catalog Number | AG00I2RW(AGN-PC-0WP1SS) |
| Chemical Name | N'-(4,4-Difluorocyclohexylidene)-2,4,6-triisopropylbenzenesulfonohydrazide |
| IUPAC Name | N-[(4,4-difluorocyclohexylidene)amino]-2,4,6-tri(propan-2-yl)benzenesulfonamide |
| InChI | InChI=1S/C21H32F2N2O2S/c1-13(2)16-11-18(14(3)4)20(19(12-16)15(5)6)28(26,27)25-24-17-7-9-21(22,23)10-8-17/h11-15,25H,7-10H2,1-6H3 |
| InChI Key | GUINLWDANLLJFI-UHFFFAOYSA-N |
| MDL Number | MFCD28397291 |
| Molecular Formula | C21H32F2N2O2S |
| Molecular Weight | 414.5528 |
| SMILES | CC(c1cc(cc(c1S(=O)(=O)NN=C1CCC(CC1)(F)F)C(C)C)C(C)C)C |
| Synonyms | N'-(4,4-Difluorocyclohexylidene)-2,4,6-triisopropylbenzenesulfonohydrazide,
1892461-49-2,
ZINC228984539,
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| Complexity | 624 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 414.215g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 28 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 414.556g/mol |
| Monoisotopic Mass | 414.215g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 66.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 5.6 |
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Certificate of Analysis
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