| CAS Number | 104497-79-2 |
| Catalog Number | AG008Y0M(AGN-PC-09TG59) |
| Chemical Name | 2,3-bis(4-methoxyphenyl)-5-phenyl-2,3-dihydro-1H-1,2,3,4-tetrazol-1-ium chloride |
| IUPAC Name | 2,3-bis(4-methoxyphenyl)-5-phenyltetrazol-2-ium;chloride |
| InChI | InChI=1S/C21H19N4O2.ClH/c1-26-19-12-8-17(9-13-19)24-22-21(16-6-4-3-5-7-16)23-25(24)18-10-14-20(27-2)15-11-18;/h3-15H,1-2H3;1H/q+1;/p-1 |
| InChI Key | BBOUGQFAXQCKHN-UHFFFAOYSA-M |
| MDL Number | MFCD00060012 |
| Molecular Formula | C21H21ClN4O2 |
| Molecular Weight | 396.8700 |
| SMILES | [Cl-].COc1ccc(cc1)N1[NH2+]C(=NN1c1ccc(OC)cc1)c1ccccc1 |
| Synonyms | 104497-79-2,
2,3-Bis(4-methoxyphenyl)-5-phenyltetrazolium Chloride,
2,3-Bis(4-methoxyphenyl)-5-phenyl-2H-tetrazol-3-ium chloride,
SCHEMBL916630,
MFCD00060012,
C-44683,
2,3-BIS(4-METHOXYPHENYL)-5-PHENYLTERTAZOLIUM CHLORIDE,
B1056,
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| Complexity | 412 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 394.12g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 28 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 394.859g/mol |
| Monoisotopic Mass | 394.12g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 53A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
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