| CAS Number | 14748-07-3 |
| Catalog Number | AG01BG9B |
| Chemical Name | 4-Chloro-1-n,1-n-dimethylbenzene-1,3-disulfonamide |
| IUPAC Name | 4-chloro-1-N,1-N-dimethylbenzene-1,3-disulfonamide |
| InChI | InChI=1S/C8H11ClN2O4S2/c1-11(2)17(14,15)6-3-4-7(9)8(5-6)16(10,12)13/h3-5H,1-2H3,(H2,10,12,13) |
| InChI Key | USZWVIAKBYUMHF-UHFFFAOYSA-N |
| MDL Number | MFCD11212965 |
| Molecular Formula | C8H11ClN2O4S2 |
| Molecular Weight | 298.7669 |
| SMILES | CN(S(C1=CC(S(N)(=O)=O)=C(Cl)C=C1)(=O)=O)C |
| Synonyms | 14748-07-3,
ZINC36948425,
4-chloro-N1,N1-dimethylbenzene-1,3-disulfonamide,
4-chloro-1-N,1-N-dimethylbenzene-1,3-disulfonamide,
|
| Complexity | 463 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 297.985g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 298.756g/mol |
| Monoisotopic Mass | 297.985g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 114A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -0.1 |
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Certificate of Analysis
Lot Number