AC1LU6ZG
6-(4-bromophenyl)-3-phenyl-1,4,5-triazatricyclo[5.4.1.04,12]dodeca-2,5,7(12)-triene
Also Known As: ChemDiv1_018884|Oprea1_509132|DivK1c_003668|HMS640K08|CDS1_002628|SR-01000388377-1|1-(4-bromophenyl)-3-phenyl-5,6,7,8-tetrahydro-2,2a,4a-triazacyclopenta[cd]azulene
CAS: 313232-43-8
| Molecular Formula | C21H18BrN3 |
|---|---|
| Molecular Weight | 391.06842 g/mol |
| LogP | 5.5686 |
| Topological Polar Surface Area | 22.23 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 391.06842 |
| Monoisotopic Mass | 391.06842 |
| Heavy Atoms | 25 |
| Complexity | 1042.3871 |
Chemical Identifiers
| CAS Number | 313232-43-8 |
|---|---|
| SMILES | C1CCN2C=C(N3C2=C(C1)C(=N3)C4=CC=C(C=C4)Br)C5=CC=CC=C5 |
Product Overview
AC1LU6ZG (CAS 313232-43-8), with molecular formula C21H18BrN3 and molecular weight 391.06842 g/mol. IUPAC: 6-(4-bromophenyl)-3-phenyl-1,4,5-triazatricyclo[5.4.1.04,12]dodeca-2,5,7(12)-triene.
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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