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Home > Aldehydes > 819075-65-5
819075-65-5 | Benzaldehyde, 3-methoxy-4-[[4-[(trifluoromethyl)thio]phenyl]methoxy]-
CAS No: 819075-65-5 Catalog No: AG0055YH MDL No:
Product Description
Catalog Number:
AG0055YH
Chemical Name:
Benzaldehyde, 3-methoxy-4-[[4-[(trifluoromethyl)thio]phenyl]methoxy]-
CAS Number:
819075-65-5
Molecular Formula:
C16H13F3O3S
Molecular Weight:
342.3328
IUPAC Name:
3-methoxy-4-[[4-(trifluoromethylsulfanyl)phenyl]methoxy]benzaldehyde
InChI:
InChI=1S/C16H13F3O3S/c1-21-15-8-12(9-20)4-7-14(15)22-10-11-2-5-13(6-3-11)23-16(17,18)19/h2-9H,10H2,1H3
InChI Key:
RAGWADXKFUKXQR-UHFFFAOYSA-N
SMILES:
COc1cc(C=O)ccc1OCc1ccc(cc1)SC(F)(F)F
Properties
Complexity:
370
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
342.054g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
342.332g/mol
Monoisotopic Mass:
342.054g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
60.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.5
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