| CAS Number | 1152589-92-8 |
| Catalog Number | AG01BFW1 |
| Chemical Name | 2-chloro-5-propanoylbenzene-1-sulfonyl chloride |
| IUPAC Name | 2-chloro-5-propanoylbenzenesulfonyl chloride |
| InChI | InChI=1S/C9H8Cl2O3S/c1-2-8(12)6-3-4-7(10)9(5-6)15(11,13)14/h3-5H,2H2,1H3 |
| InChI Key | UQVSAACJSZOWHH-UHFFFAOYSA-N |
| MDL Number | MFCD10694279 |
| Molecular Formula | C9H8Cl2O3S |
| Molecular Weight | 267.1290 |
| SMILES | CCC(C1=CC(S(Cl)(=O)=O)=C(Cl)C=C1)=O |
| Synonyms | 2-chloro-5-propanoylbenzene-1-sulfonyl chloride,
1152589-92-8,
ZINC59079756,
AKOS005204894,
|
| Complexity | 334 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 265.957g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 267.12g/mol |
| Monoisotopic Mass | 265.957g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 59.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number