| CAS Number | 1261646-81-4 |
| Catalog Number | AG01BDTX |
| Chemical Name | 2-Bromo-3-chlorobenzene-1-sulfonyl chloride |
| IUPAC Name | 2-bromo-3-chlorobenzenesulfonyl chloride |
| InChI | InChI=1S/C6H3BrCl2O2S/c7-6-4(8)2-1-3-5(6)12(9,10)11/h1-3H |
| InChI Key | LYBRJVPRDVGFLN-UHFFFAOYSA-N |
| MDL Number | MFCD18390309 |
| Molecular Formula | C6H3BrCl2O2S |
| Molecular Weight | 289.9618 |
| SMILES | ClC1=C(Br)C(S(Cl)(=O)=O)=CC=C1 |
| Synonyms | 2-bromo-3-chlorobenzene-1-sulfonyl chloride,
1261646-81-4,
ZINC100550059,
NE22423,
|
| Complexity | 249 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 287.841g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 289.952g/mol |
| Monoisotopic Mass | 287.841g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 42.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number