| CAS Number | 137654-46-7 |
| Catalog Number | AG01AMTL |
| Chemical Name | Methyl 2-(fluorosulfonyl)benzoate |
| IUPAC Name | methyl 2-fluorosulfonylbenzoate |
| InChI | InChI=1S/C8H7FO4S/c1-13-8(10)6-4-2-3-5-7(6)14(9,11)12/h2-5H,1H3 |
| InChI Key | LLQSKDZICCVCEB-UHFFFAOYSA-N |
| MDL Number | MFCD00024832 |
| Molecular Formula | C8H7FO4S |
| Molecular Weight | 218.2022 |
| SMILES | O=C(OC)C1=CC=CC=C1S(=O)(F)=O |
| Synonyms | Methyl 2-(fluorosulfonyl)benzoate,
137654-46-7,
Methyl 2-fluorosulfonylbenzoate,
AC1N3ME1,
fluorosulfonylbenzoic acid methyl ester,
ZINC108675579,
VS-0040,
CID4114764,
|
| Complexity | 306 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 218.005g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 218.198g/mol |
| Monoisotopic Mass | 218.005g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 68.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number