| CAS Number | 104497-78-1 |
| Catalog Number | AG008Y0N(AGN-PC-09TG57) |
| Chemical Name | 2,3-bis(4-ethylphenyl)-5-phenyl-2,3-dihydro-1H-1,2,3,4-tetrazol-1-ium chloride |
| IUPAC Name | 2,3-bis(4-ethylphenyl)-5-phenyltetrazol-2-ium;chloride |
| InChI | InChI=1S/C23H23N4.ClH/c1-3-18-10-14-21(15-11-18)26-24-23(20-8-6-5-7-9-20)25-27(26)22-16-12-19(4-2)13-17-22;/h5-17H,3-4H2,1-2H3;1H/q+1;/p-1 |
| InChI Key | PQLZEEMSIAJGGW-UHFFFAOYSA-M |
| MDL Number | MFCD00060006 |
| Molecular Formula | C23H25ClN4 |
| Molecular Weight | 392.9244 |
| SMILES | [Cl-].CCc1ccc(cc1)N1[NH2+]C(=NN1c1ccc(CC)cc1)c1ccccc1 |
| Synonyms | 2,3-Bis(4-ethylphenyl)-5-phenyltetrazolium Chloride,
104497-78-1,
2,3-Bis(4-ethylphenyl)-5-phenyl-2H-tetrazol-3-ium chloride,
SCHEMBL917564,
MFCD00060006,
AKOS027379439,
B1053,
C-44679,
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| Complexity | 402 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 390.161g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 28 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 390.915g/mol |
| Monoisotopic Mass | 390.161g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 34.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
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