| CAS Number | 69231-13-6 |
| Catalog Number | AG003FG8(AGN-PC-03Y5QH) |
| Chemical Name | 2,3-bis(4-nitrophenyl)-5-phenyl-3H-1,2λ⁵,3,4-tetrazol-2-ylium chloride |
| IUPAC Name | 2,3-bis(4-nitrophenyl)-5-phenyltetrazol-2-ium;chloride |
| InChI | InChI=1S/C19H13N6O4.ClH/c26-24(27)17-10-6-15(7-11-17)22-20-19(14-4-2-1-3-5-14)21-23(22)16-8-12-18(13-9-16)25(28)29;/h1-13H;1H/q+1;/p-1 |
| InChI Key | KFGKIZPNGJPTCD-UHFFFAOYSA-M |
| MDL Number | MFCD09998205 |
| Molecular Formula | C19H13ClN6O4 |
| Molecular Weight | 424.7973 |
| SMILES | [Cl-].[O-][N+](=O)c1ccc(cc1)-n1nc(n[n+]1-c1ccc(cc1)[N+]([O-])=O)-c1ccccc1 |
| Synonyms | 2,3-Bis(4-nitrophenyl)-5-phenyltetrazolium Chloride,
69231-13-6,
SCHEMBL918067,
AKOS032958209,
2,3-Bis-(4-nitrophenyl)-5-phenyltetrazolium chloride,
2,3-bis(4-nitrophenyl)-5-phenyl-2H-tetrazol-3-ium chloride,
CID11304812,
B1047,
2,3-BIS -5-PHENYLTETRAZOLIUMCHLORIDE,
2,3-bis(4-nitrophenyl)-5-phenyltetrazolium chloride hydrate,
2,3-bis(4-nitrophenyl)-5-phenyl-1,3,4-triaza-2-azoniacyclopenta-1,4-diene Chloride,
|
| Complexity | 532 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 424.068681g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 30 |
| Hydrogen Bond Acceptor Count | 7 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 424.8g/mol |
| Monoisotopic Mass | 424.068681g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 126Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
| Symbol: | |
|
Hazard statements
|
|
|
Precautionary statements
|
|
Certificate of Analysis
Lot Number