| CAS Number | 30388-70-6 |
| Catalog Number | AG002ZYM(AGN-PC-0JMFP7) |
| Chemical Name | Benzene, 1,1'-sulfinylbis[2-nitro- (9CI) |
| IUPAC Name | 1-nitro-2-(2-nitrophenyl)sulfinylbenzene |
| InChI | InChI=1S/C12H8N2O5S/c15-13(16)9-5-1-3-7-11(9)20(19)12-8-4-2-6-10(12)14(17)18/h1-8H |
| InChI Key | WCZWCGYJADVMJH-UHFFFAOYSA-N |
| MDL Number | MFCD00100514 |
| Molecular Formula | C12H8N2O5S |
| Molecular Weight | 292.2673 |
| NSC Number | 400306 |
| SMILES | O=S(C2=CC=CC=C2[N+]([O-])=O)C1=CC=CC=C1[N+]([O-])=O |
| Synonyms | 30388-70-6,
NSC400306,
MLS003171485,
Hydroxy(2-((2-(hydroxy(oxido)amino)phenyl)sulfinyl)phenyl)azane oxide,
nitrophenyl sulfoxide,
NSC 400306,
1-nitro-2-(2-nitrophenyl)sulfinylbenzene,
AC1L7Z4Q,
CHEMBL54001,
SCHEMBL2461936,
DTXSID00184470,
ZINC1593159,
CCG-256384,
MCULE-6527165231,
NSC-400306,
SMR001875371,
1-nitro-2-(2-nitrophenyl)sulfinyl-benzene,
Benzene, 1,1'-sulfinylbis[2-nitro- (9CI),
CID343799,
|
| Complexity | 370 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 292.015g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 20 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 292.265g/mol |
| Monoisotopic Mass | 292.015g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 128A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.4 |
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Certificate of Analysis
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