| CAS Number | 36305-05-2 |
| Catalog Number | AG003LA3(AGN-PC-00NI8I) |
| Chemical Name | 4-Diazo-3-methoxydiphenylamine Sulfate |
| EC Number | 252-959-1 |
| IUPAC Name | 4-anilino-2-methoxybenzenediazonium;hydrogen sulfate |
| InChI | InChI=1S/C13H12N3O.H2O4S/c1-17-13-9-11(7-8-12(13)16-14)15-10-5-3-2-4-6-10;1-5(2,3)4/h2-9,15H,1H3;(H2,1,2,3,4)/q+1;/p-1 |
| InChI Key | HBDLDBQEQKQUPI-UHFFFAOYSA-M |
| MDL Number | MFCD00083004 |
| Molecular Formula | C13H13N3O5S |
| Molecular Weight | 323.3244 |
| SMILES | OS([O-])(=O)=O.COC1=C(C=CC(NC2=CC=CC=C2)=C1)[N+]#N |
| Synonyms | 4-Diazo-3-methoxydiphenylamine Sulfate,
36305-05-2,
Benzenediazonium, 2-methoxy-4-(phenylamino)-, sulfate (1:1),
SCHEMBL5698877,
HBDLDBQEQKQUPI-UHFFFAOYSA-M,
MFCD00083004,
ACM36305052,
D2285,
2-methoxy-4-(phenylamino)-benzenediazonium bisulfate,
2-Methoxy-4-(phenylamino)benzenediazonium hydrogensulfate,
2-methoxy-4- (phenylamino)benzenediazonium hydrogen sulfate,
2-methoxy-4-(phenylamino)benzenediazonium hydrogen sulfate,
C13H12N3O.HO4S,
EINECS 252-959-1,
ACN-053901,
C13-H12-N3-O.H-O4-S,
4-Anilino-2-methoxybenzenediazonium hydrogen sulphate,
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| Complexity | 356 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 323.058g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 22 |
| Hydrogen Bond Acceptor Count | 7 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 323.323g/mol |
| Monoisotopic Mass | 323.058g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 135A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
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