| CAS Number | 53558-61-5 |
| Catalog Number | AG01B968(AGN-PC-03L5PG) |
| Chemical Name | 3-Benzoylbenzene-1-sulfonyl chloride |
| IUPAC Name | 3-benzoylbenzenesulfonyl chloride |
| InChI | InChI=1S/C13H9ClO3S/c14-18(16,17)12-8-4-7-11(9-12)13(15)10-5-2-1-3-6-10/h1-9H |
| InChI Key | HUQKJUIDRNDNQY-UHFFFAOYSA-N |
| MDL Number | MFCD10693749 |
| Molecular Formula | C13H9ClO3S |
| Molecular Weight | 280.7268 |
| SMILES | ClS(C1=CC(C(C2=CC=CC=C2)=O)=CC=C1)(=O)=O |
| Synonyms | 3-benzoylbenzene-1-sulfonyl chloride,
53558-61-5,
SCHEMBL9822576,
ZINC100868706,
|
| Complexity | 393 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 279.996g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 280.722g/mol |
| Monoisotopic Mass | 279.996g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 59.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number