| CAS Number | 1955505-45-9 |
| Catalog Number | AG01AMIV |
| Chemical Name | methyl 4-chloro-2-(fluorosulfonyl)benzoate |
| IUPAC Name | methyl 4-chloro-2-fluorosulfonylbenzoate |
| InChI | InChI=1S/C8H6ClFO4S/c1-14-8(11)6-3-2-5(9)4-7(6)15(10,12)13/h2-4H,1H3 |
| InChI Key | RUJDNRSOQOOQDW-UHFFFAOYSA-N |
| MDL Number | MFCD28968603 |
| Molecular Formula | C8H6ClFO4S |
| Molecular Weight | 252.6472 |
| SMILES | COC(C1=C(S(F)(=O)=O)C=C(Cl)C=C1)=O |
| Synonyms | methyl 4-chloro-2-(fluorosulfonyl)benzoate,
1955505-45-9,
ZINC238855441,
VS-0026,
EN300-224248,
|
| Complexity | 337 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 251.966g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 252.64g/mol |
| Monoisotopic Mass | 251.966g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 68.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number