| CAS Number | 1099660-60-2 |
| Catalog Number | AG019NDJ |
| Chemical Name | 2-Bromo-4-nitrobenzene-1-sulfonyl chloride |
| IUPAC Name | 2-bromo-4-nitrobenzenesulfonyl chloride |
| InChI | InChI=1S/C6H3BrClNO4S/c7-5-3-4(9(10)11)1-2-6(5)14(8,12)13/h1-3H |
| InChI Key | LPFIRAAVBJJUKL-UHFFFAOYSA-N |
| MDL Number | MFCD11650638 |
| Molecular Formula | C6H3BrClNO4S |
| Molecular Weight | 300.5143 |
| SMILES | C1=CC(=C(C=C1[N+](=O)[O-])Br)S(=O)(=O)Cl |
| Synonyms | 2-Bromo-4-nitrobenzenesulphonyl chloride,
2-bromo-4-nitrobenzene-1-sulfonyl chloride,
1099660-60-2,
SCHEMBL7408583,
MFCD11650638,
ZINC100575175,
NE55753,
PS-10817,
|
| 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 |
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Certificate of Analysis
Lot Number