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Home > Fluorides > 1333319-54-2
1333319-54-2 | Pyridine, 3-[2,4-bis(trifluoromethyl)phenyl]-5-methoxy-
CAS No: 1333319-54-2 Catalog No: AG0014OI MDL No:
Product Description
Catalog Number:
AG0014OI
Chemical Name:
Pyridine, 3-[2,4-bis(trifluoromethyl)phenyl]-5-methoxy-
CAS Number:
1333319-54-2
Molecular Formula:
C14H9F6NO
Molecular Weight:
321.2178
IUPAC Name:
3-[2,4-bis(trifluoromethyl)phenyl]-5-methoxypyridine
InChI:
InChI=1S/C14H9F6NO/c1-22-10-4-8(6-21-7-10)11-3-2-9(13(15,16)17)5-12(11)14(18,19)20/h2-7H,1H3
InChI Key:
RCUWOAVLFJJUDV-UHFFFAOYSA-N
SMILES:
COc1cncc(c1)c1ccc(cc1C(F)(F)F)C(F)(F)F
Properties
Complexity:
369
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
321.059g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
321.222g/mol
Monoisotopic Mass:
321.059g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
22.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2
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