AC1NPEAG
2-[6-(1,3-benzodioxol-5-yl)-2-(5-bromo-2-fluorophenyl)-1,2,3,4-tetrahydropyrimidin-3-ium-4-yl]-4-chlorophenol
Also Known As: 2-[6-(1,3-benzodioxol-5-yl)-2-(5-bromo-2-fluorophenyl)-1,2,3,4-tetrahydropyrimidin-3-ium-4-yl]-4-chlorophenol|4-(2H-1,3-Benzodioxol-5-yl)-2-(5-bromo-2-fluorophenyl)-6-(5-chloro-2-hydroxyphenyl)-1,2,3,6-tetrahydropyrimidin-1-ium
CAS: 6776-41-6
| Molecular Formula | C23H18BrClFN2O3+ |
|---|---|
| Molecular Weight | 503.01733 g/mol |
| LogP | 4.6235 |
| Topological Polar Surface Area | 67.33 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 503.01733 |
| Monoisotopic Mass | 503.01733 |
| Heavy Atoms | 31 |
| Complexity | 1203.4342 |
Chemical Identifiers
| CAS Number | 6776-41-6 |
|---|---|
| SMILES | C1OC2=C(O1)C=C(C=C2)C3=CC([NH2+]C(N3)C4=C(C=CC(=C4)Br)F)C5=C(C=CC(=C5)Cl)O |
Product Overview
AC1NPEAG (CAS 6776-41-6), with molecular formula C23H18BrClFN2O3+ and molecular weight 503.01733 g/mol. IUPAC: 2-[6-(1,3-benzodioxol-5-yl)-2-(5-bromo-2-fluorophenyl)-1,2,3,4-tetrahydropyrimidin-3-ium-4-yl]-4-chlorophenol.
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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