TL;DR: 1-[(Z)-2-(1H-1,2,3-Benzotriazol-1-yl)-1-chloroethenyl]-1H-1,2,3-benzotriazole (CAS 132369-16-5) is a chemical compound with molecular formula C14H9ClN6 and molecular weight 296.0577 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-[(Z)-2-(benzotriazol-1-yl)-1-chloroethenyl]benzotriazole
Also Known As: 1-[(Z)-2-(1H-1,2,3-Benzotriazol-1-yl)-1-chloroethenyl]-1H-1,2,3-benzotriazole, (Z)-1,2-Bis(1H-benzotriazol-1-yl)-1-chloroethene, 1-[(Z)-2-(benzotriazol-1-yl)-1-chloroethenyl]benzotriazole, 1-(2-benzotriazol-1-yl-1-chloro-ethenyl)benzotriazole, 1-[(1Z)-2-(1H-1,2,3-benzotriazol-1-yl)-2-chloroethenyl]-1H-1,2,3-benzotriazole
| Molecular Formula | C14H9ClN6 |
| Molecular Weight | 296.0577 g/mol |
| XLogP | 3.0 |
| Topological Polar Surface Area (TPSA) | 61.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 296.0577 Da |
| Heavy Atoms | 21 |
| Complexity | 416.0 |
| SMILES | C1=CC=C2C(=C1)N=NN2/C=C(/N3C4=CC=CC=C4N=N3)\Cl |
| InChIKey | AQADIRSXMFRJOP-NTEUORMPSA-N |
The XLogP value of 3.0 indicates that 1-[(Z)-2-(1H-1,2,3-Benzotriazol-1-yl)-1-chloroethenyl]-1H-1,2,3-benzotriazole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 61.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-[(Z)-2-(1H-1,2,3-Benzotriazol-1-yl)-1-chloroethenyl]-1H-1,2,3-benzotriazole. Following Lipinski's Rule of Five, 1-[(Z)-2-(1H-1,2,3-Benzotriazol-1-yl)-1-chloroethenyl]-1H-1,2,3-benzotriazole has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 1-[(Z)-2-(1H-1,2,3-Benzotriazol-1-yl)-1-chloroethenyl]-1H-1,2,3-benzotriazole is 132369-16-5.
The molecular formula of 1-[(Z)-2-(1H-1,2,3-Benzotriazol-1-yl)-1-chloroethenyl]-1H-1,2,3-benzotriazole is C14H9ClN6.
The molecular weight of 1-[(Z)-2-(1H-1,2,3-Benzotriazol-1-yl)-1-chloroethenyl]-1H-1,2,3-benzotriazole is 296.0577 g/mol.
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