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89445-31-8 | Pyridine, 2-[4-(2,2-diethoxyethoxy)phenoxy]-5-(trifluoromethyl)-
CAS No: 89445-31-8 Catalog No: AG0044IN MDL No:
Product Description
Catalog Number:
AG0044IN
Chemical Name:
Pyridine, 2-[4-(2,2-diethoxyethoxy)phenoxy]-5-(trifluoromethyl)-
CAS Number:
89445-31-8
Molecular Formula:
C18H20F3NO4
Molecular Weight:
371.3509
IUPAC Name:
2-[4-(2,2-diethoxyethoxy)phenoxy]-5-(trifluoromethyl)pyridine
InChI:
InChI=1S/C18H20F3NO4/c1-3-23-17(24-4-2)12-25-14-6-8-15(9-7-14)26-16-10-5-13(11-22-16)18(19,20)21/h5-11,17H,3-4,12H2,1-2H3
InChI Key:
UWRZVBYZIYYIMQ-UHFFFAOYSA-N
SMILES:
CCOC(COc1ccc(cc1)Oc1ccc(cn1)C(F)(F)F)OCC
Properties
Complexity:
383
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
371.134g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
371.356g/mol
Monoisotopic Mass:
371.134g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
49.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2
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