| CAS Number | 1803599-77-0 |
| Catalog Number | AG01AFNK |
| Chemical Name | 3-nitro-4-(2-oxo-1,3-oxazolidin-3-yl)benzene-1-sulfonyl chloride |
| IUPAC Name | 3-nitro-4-(2-oxo-1,3-oxazolidin-3-yl)benzenesulfonyl chloride |
| InChI | InChI=1S/C9H7ClN2O6S/c10-19(16,17)6-1-2-7(8(5-6)12(14)15)11-3-4-18-9(11)13/h1-2,5H,3-4H2 |
| InChI Key | OFCSSPXRRCHCKG-UHFFFAOYSA-N |
| MDL Number | MFCD27500935 |
| Molecular Formula | C9H7ClN2O6S |
| Molecular Weight | 306.6797 |
| SMILES | [O-][N+](C1=C(N2C(=O)OCC2)C=CC(S(Cl)(=O)=O)=C1)=O |
| Synonyms | 3-nitro-4-(2-oxo-1,3-oxazolidin-3-yl)benzene-1-sulfonyl chloride,
1803599-77-0,
ZINC97972447,
|
| Complexity | 484 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 305.971g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 306.673g/mol |
| Monoisotopic Mass | 305.971g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 118A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.3 |
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Certificate of Analysis
Lot Number