| CAS Number | 2137649-82-0 |
| Catalog Number | AG01EIVT |
| Chemical Name | methyl 5-(chlorosulfonyl)-2,3,4-trifluorobenzoate |
| IUPAC Name | methyl 5-chlorosulfonyl-2,3,4-trifluorobenzoate |
| InChI | InChI=1S/C8H4ClF3O4S/c1-16-8(13)3-2-4(17(9,14)15)6(11)7(12)5(3)10/h2H,1H3 |
| InChI Key | VPNCPEVPFPFWCX-UHFFFAOYSA-N |
| MDL Number | MFCD31421767 |
| Molecular Formula | C8H4ClF3O4S |
| Molecular Weight | 288.6282 |
| SMILES | COC(C1=C(F)C(F)=C(F)C(S(Cl)(=O)=O)=C1)=O |
| Synonyms | methyl 5-(chlorosulfonyl)-2,3,4-trifluorobenzoate,
2137649-82-0,
|
| Complexity | 396 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 287.947g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 7 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 288.621g/mol |
| Monoisotopic Mass | 287.947g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 68.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.1 |
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Certificate of Analysis
Lot Number