| CAS Number | 1368585-15-2 |
| Catalog Number | AG01BE9A |
| Chemical Name | 6-methoxy-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-7-sulfonyl chloride |
| IUPAC Name | 6-methoxy-3-oxo-4H-1,4-benzoxazine-7-sulfonyl chloride |
| InChI | InChI=1S/C9H8ClNO5S/c1-15-7-2-5-6(16-4-9(12)11-5)3-8(7)17(10,13)14/h2-3H,4H2,1H3,(H,11,12) |
| InChI Key | NYFGIVUWJJZFHA-UHFFFAOYSA-N |
| MDL Number | MFCD21908305 |
| Molecular Formula | C9H8ClNO5S |
| Molecular Weight | 277.6815 |
| SMILES | COC1=C(S(Cl)(=O)=O)C=C2C(NC(CO2)=O)=C1 |
| Synonyms | 6-methoxy-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-7-sulfonyl chloride,
1368585-15-2,
ZINC100552032,
|
| Complexity | 406 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 276.981g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 277.675g/mol |
| Monoisotopic Mass | 276.981g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 90.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number