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Home > Fluorides > 145348-98-7
145348-98-7 | 2,4(1H,3H)-Pyrimidinedione, 3-(4-methoxyphenyl)-6-(trifluoromethyl)-
CAS No: 145348-98-7 Catalog No: AG001KTQ MDL No:
Product Description
Catalog Number:
AG001KTQ
Chemical Name:
2,4(1H,3H)-Pyrimidinedione, 3-(4-methoxyphenyl)-6-(trifluoromethyl)-
CAS Number:
145348-98-7
Molecular Formula:
C12H9F3N2O3
Molecular Weight:
286.2067
IUPAC Name:
3-(4-methoxyphenyl)-6-(trifluoromethyl)-1H-pyrimidine-2,4-dione
InChI:
InChI=1S/C12H9F3N2O3/c1-20-8-4-2-7(3-5-8)17-10(18)6-9(12(13,14)15)16-11(17)19/h2-6H,1H3,(H,16,19)
InChI Key:
QNYUWIHPQFEGNY-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)n1c(=O)cc([nH]c1=O)C(F)(F)F
Properties
Complexity:
440
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
286.057g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
286.21g/mol
Monoisotopic Mass:
286.057g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
58.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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