| CAS Number | 111031-17-5 |
| Catalog Number | AG008X7R(AGN-PC-0P1IHR) |
| Chemical Name | ClethodiM Sulfone |
| IUPAC Name | 2-[(E)-N-[(E)-3-chloroprop-2-enoxy]-C-ethylcarbonimidoyl]-5-(2-ethylsulfonylpropyl)-3-hydroxycyclohex-2-en-1-one |
| InChI | InChI=1S/C17H26ClNO5S/c1-4-14(19-24-8-6-7-18)17-15(20)10-13(11-16(17)21)9-12(3)25(22,23)5-2/h6-7,12-13,20H,4-5,8-11H2,1-3H3/b7-6+,19-14+ |
| InChI Key | GLOKEOJMCXNRJB-KUZBFYBWSA-N |
| MDL Number | MFCD21363546 |
| Molecular Formula | C17H26ClNO5S |
| Molecular Weight | 391.9100 |
| SMILES | CCC(=N/OCC=CCl)C1=C(O)CC(CC(C)S(=O)(=O)CC)CC1=O |
| Synonyms | Clethodim Sulfone,
111031-17-5,
Clethodim sulfone, analytical standard,
AKOS024302346,
|
| Complexity | 661 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 2 |
| Exact Mass | 391.122g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 25 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 391.907g/mol |
| Monoisotopic Mass | 391.122g/mol |
| Rotatable Bond Count | 9 |
| Topological Polar Surface Area | 101A^2 |
| Undefined Atom Stereocenter Count | 2 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number