| CAS Number | 196962-62-6 |
| Catalog Number | AG01DUC1(AGN-PC-09XTMP) |
| Chemical Name | 2-Oxo-1,2-dihydroquinoxaline-6-sulfonyl chloride |
| IUPAC Name | 2-oxo-1H-quinoxaline-6-sulfonyl chloride |
| InChI | InChI=1S/C8H5ClN2O3S/c9-15(13,14)5-1-2-6-7(3-5)10-4-8(12)11-6/h1-4H,(H,11,12) |
| InChI Key | CCANFNXCFCDRNN-UHFFFAOYSA-N |
| MDL Number | MFCD18916419 |
| Molecular Formula | C8H5ClN2O3S |
| Molecular Weight | 244.6549 |
| SMILES | C1=CC2=C(C=C1S(=O)(=O)Cl)N=CC(=O)N2 |
| Synonyms | 196962-62-6,
6-Quinoxalinesulfonyl chloride, 1,2-dihydro-2-oxo-,
2-oxo-1,2-dihydroquinoxaline-6-sulfonyl chloride,
MFCD18916419,
AKOS006239570,
ZINC100395814,
AS-48017,
L-2177,
1,2-Dihydro-2-oxo-6-quinoxalinesulfonyl chloride,
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| Complexity | 401 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 243.971g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 244.649g/mol |
| Monoisotopic Mass | 243.971g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 84A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.8 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number