WV 844
2-[4-(4-bromobenzoyl)oxy-5-methyl-2-propan-2-ylphenoxy]ethyl-dimethylazanium chloride
| Molecular Formula | C21H27BrClNO3 |
|---|---|
| Molecular Weight | 456.8 g/mol |
| Topological Polar Surface Area | 40.0 A2 |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 455.08627 |
| Heavy Atoms | 27 |
| Complexity | 435.0 |
Chemical Identifiers
| CAS Number | 73771-69-4 |
|---|---|
| SMILES | CC1=CC(=C(C=C1OC(=O)C2=CC=C(C=C2)Br)C(C)C)OCC[NH+](C)C.[Cl-] |
| InChIKey | IRRRIJZJCZRDRF-UHFFFAOYSA-N |
📖 Product Overview
WV 844 (CAS: 73771-69-4) is a chemical compound with molecular formula C21H27BrClNO3 and molecular weight 456.8 g/mol. Its IUPAC systematic name is 2-[4-(4-bromobenzoyl)oxy-5-methyl-2-propan-2-ylphenoxy]ethyl-dimethylazanium chloride.
IRRRIJZJCZRDRF-UHFFFAOYSA-N.
SMILES: CC1=CC(=C(C=C1OC(=O)C2=CC=C(C=C2)Br)C(C)C)OCC[NH+](C)C.[Cl-].
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