| CAS Number | 1423031-26-8 |
| Catalog Number | AG01E882 |
| Chemical Name | 5-bromo-7-chloro-2-oxo-2,3-dihydro-1,3-benzoxazole-6-sulfonyl chloride |
| IUPAC Name | 5-bromo-7-chloro-2-oxo-3H-1,3-benzoxazole-6-sulfonyl chloride |
| InChI | InChI=1S/C7H2BrCl2NO4S/c8-2-1-3-5(15-7(12)11-3)4(9)6(2)16(10,13)14/h1H,(H,11,12) |
| InChI Key | BSWJSKVRMYJKFB-UHFFFAOYSA-N |
| MDL Number | MFCD22741199 |
| Molecular Formula | C7H2BrCl2NO4S |
| Molecular Weight | 346.9701 |
| SMILES | ClC1=C2C(NC(O2)=O)=CC(Br)=C1S(Cl)(=O)=O |
| Synonyms | 5-bromo-7-chloro-2-oxo-2,3-dihydro-1,3-benzoxazole-6-sulfonyl chloride,
1423031-26-8,
ZINC100463409,
NE33726,
|
| Complexity | 411 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 344.826g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 346.96g/mol |
| Monoisotopic Mass | 344.826g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 80.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number