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88374-00-9 | Oxazole, 2,2'-(1,4-phenylene)bis[5-phenyl-4-(trifluoromethyl)-
CAS No: 88374-00-9 Catalog No: AG004MA9 MDL No:
Product Description
Catalog Number:
AG004MA9
Chemical Name:
Oxazole, 2,2'-(1,4-phenylene)bis[5-phenyl-4-(trifluoromethyl)-
CAS Number:
88374-00-9
Molecular Formula:
C26H14F6N2O2
Molecular Weight:
500.3920
IUPAC Name:
5-phenyl-2-[4-[5-phenyl-4-(trifluoromethyl)-1,3-oxazol-2-yl]phenyl]-4-(trifluoromethyl)-1,3-oxazole
InChI:
InChI=1S/C26H14F6N2O2/c27-25(28,29)21-19(15-7-3-1-4-8-15)35-23(33-21)17-11-13-18(14-12-17)24-34-22(26(30,31)32)20(36-24)16-9-5-2-6-10-16/h1-14H
InChI Key:
APSTXOWDCLFVSV-UHFFFAOYSA-N
SMILES:
FC(c1nc(oc1c1ccccc1)c1ccc(cc1)c1nc(c(o1)c1ccccc1)C(F)(F)F)(F)F
Properties
Complexity:
654
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
500.096g/mol
Formal Charge:
0
Heavy Atom Count:
36
Hydrogen Bond Acceptor Count:
10
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
500.4g/mol
Monoisotopic Mass:
500.096g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
52.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
7.2
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