| CAS Number | 1193388-84-9 |
| Catalog Number | AG000IMO(AGN-PC-07HC7J) |
| Chemical Name | 5-Bromo-2-nitrobenzene-1-sulfonyl chloride |
| IUPAC Name | 5-bromo-2-nitrobenzenesulfonyl chloride |
| InChI | InChI=1S/C6H3BrClNO4S/c7-4-1-2-5(9(10)11)6(3-4)14(8,12)13/h1-3H |
| InChI Key | WMYYMEYHUJWJLF-UHFFFAOYSA-N |
| MDL Number | MFCD12912807 |
| Molecular Formula | C6H3BrClNO4S |
| Molecular Weight | 300.5143 |
| SMILES | [O-][N+](C1=C(S(Cl)(=O)=O)C=C(Br)C=C1)=O |
| Synonyms | 5-bromo-2-nitrobenzene-1-sulfonyl chloride,
1193388-84-9,
5-Bromo-2-nitrobenzenesulphonyl chloride,
5-bromo-2-nitrobenzenesulfonyl chloride,
AC1Q1WU2,
CTK5I6928,
MFCD12912807,
ZINC100585653,
NE15605,
PS-10816,
Benzenesulfonyl chloride, 5-bromo-2-nitro-,
EN300-50132,
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| Complexity | 322 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 298.865g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 300.507g/mol |
| Monoisotopic Mass | 298.865g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 88.3A^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