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Home > Fluorides > 116579-42-1
116579-42-1 | Pyridine, 4-methoxy-2-[3-(trifluoromethyl)phenyl]-6-[4-(trifluoromethyl)phenyl]-
CAS No: 116579-42-1 Catalog No: AG000CTS MDL No:
Product Description
Catalog Number:
AG000CTS
Chemical Name:
Pyridine, 4-methoxy-2-[3-(trifluoromethyl)phenyl]-6-[4-(trifluoromethyl)phenyl]-
CAS Number:
116579-42-1
Molecular Formula:
C20H13F6NO
Molecular Weight:
397.3137
IUPAC Name:
4-methoxy-2-[3-(trifluoromethyl)phenyl]-6-[4-(trifluoromethyl)phenyl]pyridine
InChI:
InChI=1S/C20H13F6NO/c1-28-16-10-17(12-5-7-14(8-6-12)19(21,22)23)27-18(11-16)13-3-2-4-15(9-13)20(24,25)26/h2-11H,1H3
InChI Key:
LJLUDPHMJHTYMA-UHFFFAOYSA-N
SMILES:
COc1cc(nc(c1)c1cccc(c1)C(F)(F)F)c1ccc(cc1)C(F)(F)F
Properties
Complexity:
500
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
397.09g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
397.32g/mol
Monoisotopic Mass:
397.09g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
22.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.9
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