| CAS Number | 31206-25-4 |
| Catalog Number | AG00BHEH(AGN-PC-00LM1C) |
| Chemical Name | 3,5-dinitrobenzene-1-sulfonyl chloride |
| IUPAC Name | 3,5-dinitrobenzenesulfonyl chloride |
| InChI | InChI=1S/C6H3ClN2O6S/c7-16(14,15)6-2-4(8(10)11)1-5(3-6)9(12)13/h1-3H |
| InChI Key | GSTCLLCEBJUOLB-UHFFFAOYSA-N |
| MDL Number | MFCD09036279 |
| Molecular Formula | C6H3ClN2O6S |
| Molecular Weight | 266.6158 |
| SMILES | [O-][N+](C1=CC(S(Cl)(=O)=O)=CC([N+]([O-])=O)=C1)=O |
| Synonyms | 3,5-DINITROBENZENESULFONYL CHLORIDE,
31206-25-4,
SCHEMBL2214769,
CTK4G6553,
DTXSID00530736,
GSTCLLCEBJUOLB-UHFFFAOYSA-N,
3,5-dinitrobenzensulfonyl chloride,
Benzenesulfonylchloride,3,5-dinitro-,
AKOS004121801,
AB49454,
3,5-DINITROBENZENE-1-SULFONYL CHLORIDE,
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| Complexity | 371 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 265.94g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 266.608g/mol |
| Monoisotopic Mass | 265.94g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 134A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.6 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number