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Reference substances

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IUPAC name:
1-(allyloxy)-2-methyl-1-oxopropan-2-yl 2-chloro-5-[3-methyl-2,6-dioxo-4-(trifluoromethyl)-3,6-dihydropyrimidin-1(2H)-yl]benzoate

Inventory

CAS number:
134605-64-4
Synonyms
Names:
BFN Stage 7
(2-allyloxy-1,1-dimethyl-2-oxo-ethyl) 2-chloro-5-[3,6-dihydro-3-methyl-2,6-dioxo-4-(trifluoromethyl)-1(2H)-pyrimidin-1-yl]benzoate

Molecular and structural information

Molecular formula:
C20H18ClF3N2O6
Molecular weight:
ca. 474.81
SMILES notation:
CN(C(C(F)(F)F)=CC(N1C2=CC=C(Cl)C(C(OC(C)(C)C(OCC=C)=O)=O)=C2)=O)C1=O
InChl:
InChI=1S/C20H18ClF3N2O6/c1-5-8-31-17(29)19(2,3)32-16(28)12-9-11(6-7-13(12)21)26-15(27)10-14(20(22,23)24)25(4)18(26)30/h5-7,9-10H,1,8H2,2-4H3
Structural formula:
Chemical structure

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