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Home > Fluorides > 116671-68-2
116671-68-2 | Oxazole, 2,2'-(1,4-phenylene)bis[5-fluoro-4-(trifluoromethyl)-
CAS No: 116671-68-2 Catalog No: AG000CY2 MDL No:
Product Description
Catalog Number:
AG000CY2
Chemical Name:
Oxazole, 2,2'-(1,4-phenylene)bis[5-fluoro-4-(trifluoromethyl)-
CAS Number:
116671-68-2
Molecular Formula:
C14H4F8N2O2
Molecular Weight:
384.1810
IUPAC Name:
5-fluoro-2-[4-[5-fluoro-4-(trifluoromethyl)-1,3-oxazol-2-yl]phenyl]-4-(trifluoromethyl)-1,3-oxazole
InChI:
InChI=1S/C14H4F8N2O2/c15-9-7(13(17,18)19)23-11(25-9)5-1-2-6(4-3-5)12-24-8(10(16)26-12)14(20,21)22/h1-4H
InChI Key:
LXAJQRKGUQSXLR-UHFFFAOYSA-N
SMILES:
Fc1oc(nc1C(F)(F)F)c1ccc(cc1)c1oc(c(n1)C(F)(F)F)F
Properties
Complexity:
450
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
384.015g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
12
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
384.185g/mol
Monoisotopic Mass:
384.015g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
52.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.8
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