| CAS Number | 2060056-99-5 |
| Catalog Number | AG01BUYK |
| Chemical Name | Methyl 5-(chlorosulfonyl)-2-fluoro-4-methoxybenzoate |
| IUPAC Name | methyl 5-chlorosulfonyl-2-fluoro-4-methoxybenzoate |
| InChI | InChI=1S/C9H8ClFO5S/c1-15-7-4-6(11)5(9(12)16-2)3-8(7)17(10,13)14/h3-4H,1-2H3 |
| InChI Key | AATHIWGAMVPUCT-UHFFFAOYSA-N |
| MDL Number | MFCD30497568 |
| Molecular Formula | C9H8ClFO5S |
| Molecular Weight | 282.6732 |
| SMILES | ClS(=O)(=O)C=1C(=CC(=C(C(=O)OC)C1)F)OC |
| Synonyms | methyl 5-(chlorosulfonyl)-2-fluoro-4-methoxybenzoate,
2060056-99-5,
ZINC536948623,
|
| Complexity | 379 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 281.977g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 282.666g/mol |
| Monoisotopic Mass | 281.977g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 78A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number