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Home > Aldehydes > 819076-57-8
819076-57-8 | Benzaldehyde, 3-chloro-4-[[4-[(trifluoromethyl)thio]phenyl]methoxy]-
CAS No: 819076-57-8 Catalog No: AG0055WW MDL No:
Product Description
Catalog Number:
AG0055WW
Chemical Name:
Benzaldehyde, 3-chloro-4-[[4-[(trifluoromethyl)thio]phenyl]methoxy]-
CAS Number:
819076-57-8
Molecular Formula:
C15H10ClF3O2S
Molecular Weight:
346.7519
IUPAC Name:
3-chloro-4-[[4-(trifluoromethylsulfanyl)phenyl]methoxy]benzaldehyde
InChI:
InChI=1S/C15H10ClF3O2S/c16-13-7-11(8-20)3-6-14(13)21-9-10-1-4-12(5-2-10)22-15(17,18)19/h1-8H,9H2
InChI Key:
SQHCIIZSMHWBKA-UHFFFAOYSA-N
SMILES:
O=Cc1ccc(c(c1)Cl)OCc1ccc(cc1)SC(F)(F)F
Properties
Complexity:
359
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
346.004g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
346.748g/mol
Monoisotopic Mass:
346.004g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
51.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.2
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