AC1ND8NA
6-(4-chlorophenyl)-2-phenyl-12-oxa-5,7,8,10-tetrazapentacyclo[11.8.0.03,11.04,8.016,21]henicosa-1(13),3(11),4,6,9,14,16,18,20-nonaene
Also Known As: 2-(4-chlorophenyl)-14-phenyl-14H-benzo[5,6]chromeno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine
CAS: 846597-33-9
| Molecular Formula | C28H17ClN4O |
|---|---|
| Molecular Weight | 460.1091 g/mol |
| LogP | 6.8838 |
| Topological Polar Surface Area | 52.31 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 460.1091 |
| Monoisotopic Mass | 460.1091 |
| Heavy Atoms | 34 |
| Complexity | 1693.7897 |
Chemical Identifiers
| CAS Number | 846597-33-9 |
|---|---|
| SMILES | C1=CC=C(C=C1)C2C3=C(C=CC4=CC=CC=C43)OC5=C2C6=NC(=NN6C=N5)C7=CC=C(C=C7)Cl |
Product Overview
AC1ND8NA (CAS 846597-33-9), with molecular formula C28H17ClN4O and molecular weight 460.1091 g/mol. IUPAC: 6-(4-chlorophenyl)-2-phenyl-12-oxa-5,7,8,10-tetrazapentacyclo[11.8.0.03,11.04,8.016,21]henicosa-1(13),3(11),4,6,9,14,16,18,20-nonaene.
Safety Data Sheet (MSDS / SDS)
View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.
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