| CAS Number | 98130-55-3 |
| Catalog Number | AG01A974(AGN-PC-0LGG0Q) |
| Chemical Name | 2-Bromo-5-nitrobenzene-1-sulfonyl chloride |
| IUPAC Name | 2-bromo-5-nitrobenzenesulfonyl chloride |
| InChI | InChI=1S/C6H3BrClNO4S/c7-5-2-1-4(9(10)11)3-6(5)14(8,12)13/h1-3H |
| InChI Key | OGKGGBNPVRGQQN-UHFFFAOYSA-N |
| MDL Number | MFCD06254509 |
| Molecular Formula | C6H3BrClNO4S |
| Molecular Weight | 300.5143 |
| SMILES | BrC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)Cl |
| Synonyms | 2-bromo-5-nitrobenzene-1-sulfonyl chloride,
98130-55-3,
2-bromo-5-nitrobenzenesulfonyl chloride,
AC1NHDGJ,
AC1Q1X3P,
SCHEMBL3810591,
OGKGGBNPVRGQQN-UHFFFAOYSA-N,
MFCD06254509,
AKOS002665963,
ZINC100614026,
NE23683,
2-bromo-5-nitrobenzene-1-sulfonylchloride,
Benzenesulfonyl chloride, 2-bromo-5-nitro-,
EN300-64356,
CID4738384,
2-bromo-5-nitro-benzenesulfonyl Chloride,
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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