| CAS Number | 1955558-09-4 |
| Catalog Number | AG01AMKK |
| Chemical Name | methyl 4-[(fluorosulfonyl)methyl]benzoate |
| IUPAC Name | methyl 4-(fluorosulfonylmethyl)benzoate |
| InChI | InChI=1S/C9H9FO4S/c1-14-9(11)8-4-2-7(3-5-8)6-15(10,12)13/h2-5H,6H2,1H3 |
| InChI Key | HRGYPBNOTSTBPX-UHFFFAOYSA-N |
| MDL Number | MFCD28968662 |
| Molecular Formula | C9H9FO4S |
| Molecular Weight | 232.2288 |
| SMILES | COC(C1=CC=C(CS(F)(=O)=O)C=C1)=O |
| Synonyms | methyl 4-[(fluorosulfonyl)methyl]benzoate,
1955558-09-4,
ZINC238852890,
VS-0015,
EN300-224311,
|
| Complexity | 312 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 232.020558g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 232.23g/mol |
| Monoisotopic Mass | 232.020558g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 68.8Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number