| CAS Number | 1050884-93-9 |
| Catalog Number | AG019MB3 |
| Chemical Name | 6-Bromo-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-7-sulfonyl chloride |
| IUPAC Name | 6-bromo-3-oxo-4H-1,4-benzoxazine-7-sulfonyl chloride |
| InChI | InChI=1S/C8H5BrClNO4S/c9-4-1-5-6(15-3-8(12)11-5)2-7(4)16(10,13)14/h1-2H,3H2,(H,11,12) |
| InChI Key | VZLLYSXSXMBKQS-UHFFFAOYSA-N |
| MDL Number | MFCD10686727 |
| Molecular Formula | C8H5BrClNO4S |
| Molecular Weight | 326.5516 |
| SMILES | ClS(C1=C(Br)C=C2C(OCC(N2)=O)=C1)(=O)=O |
| Synonyms | 6-bromo-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-7-sulfonyl chloride,
1050884-93-9,
AC1Q3VJE,
SCHEMBL15202423,
CTK7H4455,
VZLLYSXSXMBKQS-UHFFFAOYSA-N,
AKOS009237057,
ZINC100571519,
NE14776,
EN300-35640,
6-bromo-3-oxo-3,4-dihydro-2H-benzo[b][1,4]oxazine-7-sulfonyl chloride,
|
| Complexity | 395 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 324.881g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 326.545g/mol |
| Monoisotopic Mass | 324.881g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 80.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number