| CAS Number | 88963-75-1 |
| Catalog Number | AG0089CJ(AGN-PC-02MW41) |
| Chemical Name | 3-bromo-4-acetamidobenzene-1-sulfonyl chloride |
| IUPAC Name | 4-acetamido-3-bromobenzenesulfonyl chloride |
| InChI | InChI=1S/C8H7BrClNO3S/c1-5(12)11-8-3-2-6(4-7(8)9)15(10,13)14/h2-4H,1H3,(H,11,12) |
| InChI Key | HOZVMONOTHFUAN-UHFFFAOYSA-N |
| MDL Number | MFCD09804277 |
| Molecular Formula | C8H7BrClNO3S |
| Molecular Weight | 312.5681 |
| SMILES | CC(NC1=C(Br)C=C(S(Cl)(=O)=O)C=C1)=O |
| Synonyms | 88963-75-1,
3-bromo-4-acetamidobenzene-1-sulfonyl chloride,
Benzenesulfonyl chloride, 4-(acetylamino)-3-bromo-,
ACMC-20lfkm,
4-Acetamido-3-bromobenzene-1-sulfonyl chloride,
SCHEMBL20766191,
CTK3A4209,
DTXSID50602750,
MFCD09804277,
ZINC59112865,
AKOS000158150,
NE14471,
4-Acetylamino-3-bromo-benzenesulfonyl chloride,
4-acetamido-3-bromobenzenesulfonyl chloride,
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| Complexity | 340 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 310.902g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 312.562g/mol |
| Monoisotopic Mass | 310.902g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 71.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.8 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number