| CAS Number | 455-25-4 |
| Catalog Number | AG01ACLW |
| Chemical Name | 4-Acetylbenzene-1-sulfonyl fluoride |
| IUPAC Name | 4-acetylbenzenesulfonyl fluoride |
| InChI | InChI=1S/C8H7FO3S/c1-6(10)7-2-4-8(5-3-7)13(9,11)12/h2-5H,1H3 |
| InChI Key | GCMYDSDIXNHNKU-UHFFFAOYSA-N |
| MDL Number | MFCD12401724 |
| Molecular Formula | C8H7FO3S |
| Molecular Weight | 202.2028 |
| SMILES | C(C)(=O)C1=CC=C(C=C1)S(=O)(=O)F |
| Synonyms | 4-acetylbenzene-1-sulfonyl fluoride,
4-acetylbenzenesulfonyl fluoride,
455-25-4,
STL266850,
ZINC59279494,
AKOS016354619,
ES-2116,
MCULE-1670132862,
NE15508,
J3.662.906A,
Z2405314005,
|
| Complexity | 283 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 202.009993g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 202.2g/mol |
| Monoisotopic Mass | 202.009993g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 59.6Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number