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1-(2-Chloro-5-triflyl-phenyl)-3-(4,6-dichloropyrimidin-2-yl)urea
SpectraBase Compound ID EIbFTnWU8xv
InChI InChI=1S/C12H6Cl3F3N4O3S/c13-6-2-1-5(26(24,25)12(16,17)18)3-7(6)19-11(23)22-10-20-8(14)4-9(15)21-10/h1-4H,(H2,19,20,21,22,23)
InChIKey XFSBMOGQJDUADJ-UHFFFAOYSA-N
Mol Weight 449.62 g/mol
Molecular Formula C12H6Cl3F3N4O3S
Exact Mass 447.917829 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID J65NyYeoijt
Name 1-(2-Chloro-5-triflyl-phenyl)-3-(4,6-dichloropyrimidin-2-yl)urea
Alternate Name(s) 1-[2-chloro-5-(trifluoromethylsulfonyl)phenyl]-3-(4,6-dichloro-2-pyrimidinyl)urea 1-[2-chloro-5-(trifluoromethylsulfonyl)phenyl]-3-(4,6-dichloropyrimidin-2-yl)urea 1-[4,6-bis(chloranyl)pyrimidin-2-yl]-3-[2-chloranyl-5-(trifluoromethylsulfonyl)phenyl]urea
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Formula C12H6Cl3F3N4O3S
InChI InChI=1S/C12H6Cl3F3N4O3S/c13-6-2-1-5(26(24,25)12(16,17)18)3-7(6)19-11(23)22-10-20-8(14)4-9(15)21-10/h1-4H,(H2,19,20,21,22,23)
InChIKey XFSBMOGQJDUADJ-UHFFFAOYSA-N
Molecular Weight 449.619 g/mol
SMILES N(C(Nc1nc(Cl)cc(n1)Cl)=O)c1cc(S(C(F)(F)F)(=O)=O)ccc1Cl
SPLASH splash10-092a-2930600000-12450a24c778a9bafd69
Wiley ID 1455164