| CAS Number | 89465-98-5 |
| Catalog Number | AG019N7L |
| Chemical Name | 4-bromo-2-nitrobenzene-1-sulfonyl chloride |
| IUPAC Name | 4-bromo-2-nitrobenzenesulfonyl chloride |
| InChI | InChI=1S/C6H3BrClNO4S/c7-4-1-2-6(14(8,12)13)5(3-4)9(10)11/h1-3H |
| InChI Key | FYVZBWPPMOFMPS-UHFFFAOYSA-N |
| MDL Number | MFCD12068352 |
| Molecular Formula | C6H3BrClNO4S |
| Molecular Weight | 300.5143 |
| SMILES | [O-][N+](C1=C(S(Cl)(=O)=O)C=CC(Br)=C1)=O |
| Synonyms | 4-bromo-2-nitrobenzene-1-sulfonyl chloride,
89465-98-5,
4-Bromo-2-nitrobenzenesulphonyl chloride,
4-bromo-2-nitro-benzenesulfonyl chloride,
AC1Q1WUD,
SCHEMBL5310099,
MFCD12068352,
AKOS009375830,
ZINC100574638,
NE26000,
PS-10820,
EN300-39605,
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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 | 2.6 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number