| CAS Number | 1261671-62-8 |
| Catalog Number | AG01FH86(AGN-PC-3H4AMG) |
| Chemical Name | 3-Bromo-2-nitrobenzenesulfonyl chloride |
| IUPAC Name | 3-bromo-2-nitrobenzenesulfonyl chloride |
| InChI | InChI=1S/C6H3BrClNO4S/c7-4-2-1-3-5(14(8,12)13)6(4)9(10)11/h1-3H |
| InChI Key | JDTXKHVLNFSTOC-UHFFFAOYSA-N |
| MDL Number | MFCD18392272 |
| Molecular Formula | C6H3BrClNO4S |
| Molecular Weight | 300.5143 |
| SMILES | [O-][N+](=O)c1c(Br)cccc1S(=O)(=O)Cl |
| Synonyms | 3-Bromo-2-nitrobenzenesulphonyl chloride,
1261671-62-8,
MFCD18392272,
ZINC169809017,
PS-10822,
3-bromo-2-nitrobenzene-1-sulfonyl chloride,
|
| 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
Certificate of Analysis
Lot Number