| CAS Number | 116436-09-0 |
| Catalog Number | AG00HDQ5(AGN-PC-002AVW) |
| Chemical Name | 2-(Acetylamino)-5-methylbenzenesulfonyl chloride |
| IUPAC Name | 2-acetamido-5-methylbenzenesulfonyl chloride |
| InChI | InChI=1S/C9H10ClNO3S/c1-6-3-4-8(11-7(2)12)9(5-6)15(10,13)14/h3-5H,1-2H3,(H,11,12) |
| InChI Key | NGUFRGGRPQMFIX-UHFFFAOYSA-N |
| MDL Number | MFCD08752862 |
| Molecular Formula | C9H10ClNO3S |
| Molecular Weight | 247.6986 |
| SMILES | CC(=O)Nc1ccc(cc1S(=O)(=O)Cl)C |
| Synonyms | 116436-09-0,
2-(acetylamino)-5-methylbenzenesulfonyl chloride,
2-Acetamido-5-methylbenzene-1-sulfonyl chloride,
Benzenesulfonyl chloride, 2-(acetylamino)-5-methyl-,
2-acetamido-5-methylbenzenesulfonyl chloride,
ALBB-021376,
SUC-0067,
ZX-AN036971,
ZX-BK002422,
BBL020115,
MFCD08752862,
STK880181,
AKOS005144589,
ZINC100000493,
MCULE-1228456520,
H8766,
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| Complexity | 336 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 247.007g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 247.693g/mol |
| Monoisotopic Mass | 247.007g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 71.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.9 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number