| CAS Number | 104497-77-0 |
| Catalog Number | AG003FGJ(AGN-PC-026UQW) |
| Chemical Name | 2,3-Di(P-Tolyl)-5-phenyltetrazolium chloride |
| IUPAC Name | 2,3-bis(4-methylphenyl)-5-phenyltetrazol-2-ium;chloride |
| InChI | InChI=1S/C21H19N4.ClH/c1-16-8-12-19(13-9-16)24-22-21(18-6-4-3-5-7-18)23-25(24)20-14-10-17(2)11-15-20;/h3-15H,1-2H3;1H/q+1;/p-1 |
| InChI Key | OUFYUKONKRMAMS-UHFFFAOYSA-M |
| MDL Number | MFCD00060002 |
| Molecular Formula | C21H19ClN4 |
| Molecular Weight | 362.8554 |
| SMILES | [Cl-].CC1=CC=C(C=C1)N1N=C(N=[N+]1C1=CC=C(C)C=C1)C1=CC=CC=C1 |
| Synonyms | 104497-77-0,
5-Phenyl-2,3-di-p-tolyl-2H-tetrazol-3-ium chloride,
SCHEMBL916622,
B0345,
C-44676,
5-phenyl-2,3-dip-tolyl-2H-tetrazol-3-ium chloride,
2,3-Di(p-tolyl)-5-phenyltetrazolium Chloride,
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| Complexity | 376 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 362.129824g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 26 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 362.9g/mol |
| Monoisotopic Mass | 362.129824g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 34.6Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
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