| CAS Number | 612541-16-9 |
| Catalog Number | AG01B8V9(AGN-PC-0ODBKT) |
| Chemical Name | 3-bromo-2-cyanobenzene-1-sulfonyl chloride |
| IUPAC Name | 3-bromo-2-cyanobenzenesulfonyl chloride |
| InChI | InChI=1S/C7H3BrClNO2S/c8-6-2-1-3-7(5(6)4-10)13(9,11)12/h1-3H |
| InChI Key | SLGAZEDYQWSNKB-UHFFFAOYSA-N |
| MDL Number | MFCD18390730 |
| Molecular Formula | C7H3BrClNO2S |
| Molecular Weight | 280.5262 |
| SMILES | ClS(C1=C(C#N)C(Br)=CC=C1)(=O)=O |
| Synonyms | 3-bromo-2-cyanobenzene-1-sulfonyl chloride,
612541-16-9,
SCHEMBL4021944,
ZINC161746264,
FCH1369386,
BBV-40245493,
EN300-202535,
|
| Complexity | 328 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 278.876g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 280.52g/mol |
| Monoisotopic Mass | 278.876g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 66.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number