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Home > Fluorides > 1261728-42-0
1261728-42-0 | Pyridine, 2-(difluoromethoxy)-5-[4-(trifluoromethoxy)phenyl]-
CAS No: 1261728-42-0 Catalog No: AG000RZ8 MDL No:
Product Description
Catalog Number:
AG000RZ8
Chemical Name:
Pyridine, 2-(difluoromethoxy)-5-[4-(trifluoromethoxy)phenyl]-
CAS Number:
1261728-42-0
Molecular Formula:
C13H8F5NO2
Molecular Weight:
305.2001
IUPAC Name:
2-(difluoromethoxy)-5-[4-(trifluoromethoxy)phenyl]pyridine
InChI:
InChI=1S/C13H8F5NO2/c14-12(15)20-11-6-3-9(7-19-11)8-1-4-10(5-2-8)21-13(16,17)18/h1-7,12H
InChI Key:
IWSLSJNTXHKLIR-UHFFFAOYSA-N
SMILES:
FC(Oc1ccc(cn1)c1ccc(cc1)OC(F)(F)F)F
Properties
Complexity:
318
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
305.048g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
305.204g/mol
Monoisotopic Mass:
305.048g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
31.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.9
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