| CAS Number | 854689-07-9 |
| Catalog Number | AG00G60C(AGN-PC-0KK6VQ) |
| Chemical Name | 4-Hydrazinobenzenesulfonic Acid Hemihydrate |
| IUPAC Name | 4-hydrazinylbenzenesulfonic acid;hydrate |
| InChI | InChI=1S/2C6H8N2O3S.H2O/c2*7-8-5-1-3-6(4-2-5)12(9,10)11;/h2*1-4,8H,7H2,(H,9,10,11);1H2 |
| InChI Key | QDGWVKGXYCHAAA-UHFFFAOYSA-N |
| MDL Number | MFCD00480958 |
| Molecular Formula | C12H18N4O7S2 |
| Molecular Weight | 394.4239 |
| SMILES | O=S(C1=CC=C(NN)C=C1)(O)=O.[H]O[H].O=S(C2=CC=C(NN)C=C2)(O)=O |
| Synonyms | 4-Hydrazinobenzenesulfonic acid hemihydrate,
854689-07-9,
4-Hydrazinobenzenesulfonic acid hydrate,
AC1MC2HZ,
467450-48-2,
SCHEMBL139057,
4-Sulphophenylhydrazine hemihydrate,
ZX-AT003841,
MFCD00460768,
AKOS025310675,
ING0002023,
OR70100,
RT-009691,
bis(4-hydrazinylbenzenesulfonic acid) hydrate,
CID2735055,
4-hydrazinylbenzenesulfonic Acid Hydrate,
CID 2735055,
98-71-5,
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| Complexity | 226 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 3 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 394.062g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 25 |
| Hydrogen Bond Acceptor Count | 11 |
| Hydrogen Bond Donor Count | 7 |
| Isotope Atom Count | 0 |
| Molecular Weight | 394.417g/mol |
| Monoisotopic Mass | 394.062g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 203A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number