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Home > Fluorides > 156592-06-2
156592-06-2 | Pyrimidine, 4,6-bis[4-fluoro-3-(trifluoromethyl)phenoxy]-
CAS No: 156592-06-2 Catalog No: AG001OTR MDL No:
Product Description
Catalog Number:
AG001OTR
Chemical Name:
Pyrimidine, 4,6-bis[4-fluoro-3-(trifluoromethyl)phenoxy]-
CAS Number:
156592-06-2
Molecular Formula:
C18H8F8N2O2
Molecular Weight:
436.2555
IUPAC Name:
4,6-bis[4-fluoro-3-(trifluoromethyl)phenoxy]pyrimidine
InChI:
InChI=1S/C18H8F8N2O2/c19-13-3-1-9(5-11(13)17(21,22)23)29-15-7-16(28-8-27-15)30-10-2-4-14(20)12(6-10)18(24,25)26/h1-8H
InChI Key:
CJUQHRGCSKPBDZ-UHFFFAOYSA-N
SMILES:
Fc1ccc(cc1C(F)(F)F)Oc1ncnc(c1)Oc1ccc(c(c1)C(F)(F)F)F
Properties
Complexity:
515
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
436.046g/mol
Formal Charge:
0
Heavy Atom Count:
30
Hydrogen Bond Acceptor Count:
12
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
436.261g/mol
Monoisotopic Mass:
436.046g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
44.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.9
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