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Home > Fluorides > 180608-33-7
180608-33-7 | Pyrimidine, 4-[3-(trifluoromethyl)phenoxy]-2-[4-(trifluoromethyl)phenyl]-
CAS No: 180608-33-7 Catalog No: AG00225I MDL No:
Product Description
Catalog Number:
AG00225I
Chemical Name:
Pyrimidine, 4-[3-(trifluoromethyl)phenoxy]-2-[4-(trifluoromethyl)phenyl]-
CAS Number:
180608-33-7
Molecular Formula:
C18H10F6N2O
Molecular Weight:
384.2752
IUPAC Name:
4-[3-(trifluoromethyl)phenoxy]-2-[4-(trifluoromethyl)phenyl]pyrimidine
InChI:
InChI=1S/C18H10F6N2O/c19-17(20,21)12-6-4-11(5-7-12)16-25-9-8-15(26-16)27-14-3-1-2-13(10-14)18(22,23)24/h1-10H
InChI Key:
PLJCPAJZBGUOCZ-UHFFFAOYSA-N
SMILES:
FC(c1ccc(cc1)c1nccc(n1)Oc1cccc(c1)C(F)(F)F)(F)F
Properties
Complexity:
476
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
384.07g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
9
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
384.281g/mol
Monoisotopic Mass:
384.07g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
35A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.5
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