| CAS Number | 952959-47-6 |
| Catalog Number | AG00IIYB(AGN-PC-0WOL1T) |
| Chemical Name | 2-Acetamido-5-ethylbenzenesulfonyl chloride |
| IUPAC Name | 2-acetamido-5-ethylbenzenesulfonyl chloride |
| InChI | InChI=1S/C10H12ClNO3S/c1-3-8-4-5-9(12-7(2)13)10(6-8)16(11,14)15/h4-6H,3H2,1-2H3,(H,12,13) |
| InChI Key | KUXZLAXOUBDPOK-UHFFFAOYSA-N |
| MDL Number | MFCD09832456 |
| Molecular Formula | C10H12ClNO3S |
| Molecular Weight | 261.7252 |
| SMILES | CCc1ccc(c(c1)S(=O)(=O)Cl)NC(=O)C |
| Synonyms | 952959-47-6,
2-Acetamido-5-ethylbenzene-1-sulfonyl chloride,
2-acetamido-5-ethylbenzenesulfonyl chloride,
2-(acetylamino)-5-ethylbenzenesulfonyl chloride,
SUC-0093,
ZX-BK002679,
BBL021858,
KM4400,
MFCD09832456,
STK894575,
ZINC98047008,
AKOS005144593,
MCULE-8750482846,
2-(acetylamino)-5-ethyl-1-benzenesulfonyl chloride,
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| Complexity | 350 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 261.023g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 261.72g/mol |
| Monoisotopic Mass | 261.023g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 71.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.5 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number