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Specification
The molecular formula of 4-Methoxy-3-{[3-(trifluoromethyl)benzyl]oxy}benzaldehyde is C16H13F3O3.
The synonyms of 4-Methoxy-3-{[3-(trifluoromethyl)benzyl]oxy}benzaldehyde include 669739-13-3, 4-methoxy-3-{[3-(trifluoromethyl)benzyl]oxy}benzaldehyde, 4-Methoxy-3-((3-(trifluoromethyl)benzyl)oxy)benzaldehyde, and 4-Methoxy-3-([3-(trifluoromethyl)benzyl]oxy)benzaldehyde.
The molecular weight of 4-Methoxy-3-{[3-(trifluoromethyl)benzyl]oxy}benzaldehyde is 310.27 g/mol.
The IUPAC name of 4-Methoxy-3-{[3-(trifluoromethyl)benzyl]oxy}benzaldehyde is 4-methoxy-3-[[3-(trifluoromethyl)phenyl]methoxy]benzaldehyde.
The InChI of 4-Methoxy-3-{[3-(trifluoromethyl)benzyl]oxy}benzaldehyde is InChI=1S/C16H13F3O3/c1-21-14-6-5-11(9-20)8-15(14)22-10-12-3-2-4-13(7-12)16(17,18)19/h2-9H,10H2,1H3.
The InChIKey of 4-Methoxy-3-{[3-(trifluoromethyl)benzyl]oxy}benzaldehyde is XOTVUZQWWQLZDX-UHFFFAOYSA-N.
The canonical SMILES of 4-Methoxy-3-{[3-(trifluoromethyl)benzyl]oxy}benzaldehyde is COC1=C(C=C(C=C1)C=O)OCC2=CC(=CC=C2)C(F)(F)F.
The XLogP3-AA value of 4-Methoxy-3-{[3-(trifluoromethyl)benzyl]oxy}benzaldehyde is 3.7.
4-Methoxy-3-{[3-(trifluoromethyl)benzyl]oxy}benzaldehyde has 0 hydrogen bond donor count.
4-Methoxy-3-{[3-(trifluoromethyl)benzyl]oxy}benzaldehyde has 6 hydrogen bond acceptor count.