6-[(4-chlorophenyl)-(1,2,4-triazol-1-yl)methyl]-1-methylbenzotriazole
6-[(4-chlorophenyl)-(1,2,4-triazol-1-yl)methyl]-1-methylbenzotriazole
| Molecular Formula | C16H13ClN6 |
|---|---|
| Molecular Weight | 324.77 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 61.4 A2 |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 324.08902 |
| Heavy Atoms | 23 |
| Complexity | 402.0 |
Chemical Identifiers
| CAS Number | 118949-22-7 |
|---|---|
| SMILES | CN1C2=C(C=CC(=C2)C(C3=CC=C(C=C3)Cl)N4C=NC=N4)N=N1 |
| InChIKey | XLMPPFTZALNBFS-UHFFFAOYSA-N |
📖 Product Overview
6-[(4-chlorophenyl)-(1,2,4-triazol-1-yl)methyl]-1-methylbenzotriazole (CAS: 118949-22-7) is a chemical compound with molecular formula C16H13ClN6 and molecular weight 324.77 g/mol. Its IUPAC systematic name is 6-[(4-chlorophenyl)-(1,2,4-triazol-1-yl)methyl]-1-methylbenzotriazole.
XLMPPFTZALNBFS-UHFFFAOYSA-N.
SMILES: CN1C2=C(C=CC(=C2)C(C3=CC=C(C=C3)Cl)N4C=NC=N4)N=N1.
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