| CAS Number | 2137562-31-1 |
| Catalog Number | AG01EIXZ |
| Chemical Name | methyl 5-(chlorosulfonyl)-2-(trifluoromethoxy)benzoate |
| IUPAC Name | methyl 5-chlorosulfonyl-2-(trifluoromethoxy)benzoate |
| InChI | InChI=1S/C9H6ClF3O5S/c1-17-8(14)6-4-5(19(10,15)16)2-3-7(6)18-9(11,12)13/h2-4H,1H3 |
| InChI Key | NZTWBDRWHAIORC-UHFFFAOYSA-N |
| MDL Number | MFCD31559417 |
| Molecular Formula | C9H6ClF3O5S |
| Molecular Weight | 318.6541 |
| SMILES | COC(C1=C(OC(F)(F)F)C=CC(S(Cl)(=O)=O)=C1)=O |
| Synonyms | methyl 5-(chlorosulfonyl)-2-(trifluoromethoxy)benzoate,
2137562-31-1,
|
| Complexity | 430 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 317.958g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 8 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 318.647g/mol |
| Monoisotopic Mass | 317.958g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 78A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3 |
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Certificate of Analysis
Lot Number