| CAS Number | 3511-47-5 |
| Catalog Number | AG01A03R(AGN-PC-0NJN1N) |
| Chemical Name | 5-Acetyl-2-chlorobenzene-1-sulfonyl chloride |
| IUPAC Name | 5-acetyl-2-chlorobenzenesulfonyl chloride |
| InChI | InChI=1S/C8H6Cl2O3S/c1-5(11)6-2-3-7(9)8(4-6)14(10,12)13/h2-4H,1H3 |
| InChI Key | XWIWYJKLMNGMLH-UHFFFAOYSA-N |
| MDL Number | MFCD10695486 |
| Molecular Formula | C8H6Cl2O3S |
| Molecular Weight | 253.1024 |
| SMILES | CC(C1=CC(S(Cl)(=O)=O)=C(Cl)C=C1)=O |
| Synonyms | 5-acetyl-2-chlorobenzene-1-sulfonyl chloride,
3511-47-5,
SCHEMBL2198935,
XWIWYJKLMNGMLH-UHFFFAOYSA-N,
MFCD10695486,
STL450357,
AKOS005204982,
ZINC100449452,
NE22783,
4'-chloro-3'-chlorosulfonylacetophenone,
4'-chloro-3'-chlorosulfonyl-acetophenone,
5-acetyl-2-chlorobenzenesulfonyl chloride,
|
| Complexity | 320 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 251.941g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 253.093g/mol |
| Monoisotopic Mass | 251.941g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 59.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.3 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number