| CAS Number | 1181458-26-3 |
| Catalog Number | AG019VIK |
| Chemical Name | 3-Bromo-4-nitrobenzene-1-sulfonyl chloride |
| IUPAC Name | 3-bromo-4-nitrobenzenesulfonyl chloride |
| InChI | InChI=1S/C6H3BrClNO4S/c7-5-3-4(14(8,12)13)1-2-6(5)9(10)11/h1-3H |
| InChI Key | PVMIFAHAVZOCIJ-UHFFFAOYSA-N |
| MDL Number | MFCD12197192 |
| Molecular Formula | C6H3BrClNO4S |
| Molecular Weight | 300.5143 |
| SMILES | c1cc(c(cc1S(=O)(=O)Cl)Br)N(=O)=O |
| Synonyms | 3-bromo-4-nitrobenzene-1-sulfonyl chloride,
3-Bromo-4-nitrobenzenesulphonyl chloride,
1181458-26-3,
AC1Q1WTN,
SCHEMBL9941832,
CTK5I3354,
MFCD12197192,
ZINC100583018,
NE15492,
PS-10823,
EN300-45324,
|
| 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