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Benzoic acid, 2-[(2-chloro-5-fluoro-4-pyrimidinyl)amino]-, methyl ester
SpectraBase Compound ID 19hXQMCxN83
InChI InChI=1S/C12H9ClFN3O2/c1-19-11(18)7-4-2-3-5-9(7)16-10-8(14)6-15-12(13)17-10/h2-6H,1H3,(H,15,16,17)
InChIKey ZXPVJLDONWLURZ-UHFFFAOYSA-N
Mol Weight 281.67 g/mol
Molecular Formula C12H9ClFN3O2
Exact Mass 281.036732 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DcCbDPQJFvd
Name Benzoic acid, 2-[(2-chloro-5-fluoro-4-pyrimidinyl)amino]-, methyl ester
Alternate Name(s) Methyl 2-[(2-chloro-5-fluoropyrimidin-4-yl)amino]benzoate 2-[(2-chloro-5-fluoro-4-pyrimidinyl)amino]benzoic acid methyl ester Methyl 2-[(2-chloro-5-fluoro-pyrimidin-4-yl)amino]benzoate Methyl 2-[(2-chloranyl-5-fluoranyl-pyrimidin-4-yl)amino]benzoate
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Formula C12H9ClFN3O2
InChI InChI=1S/C12H9ClFN3O2/c1-19-11(18)7-4-2-3-5-9(7)16-10-8(14)6-15-12(13)17-10/h2-6H,1H3,(H,15,16,17)
InChIKey ZXPVJLDONWLURZ-UHFFFAOYSA-N
Molecular Weight 281.674 g/mol
SMILES N(c1nc(ncc1F)Cl)c1ccccc1C(=O)OC
SPLASH splash10-00di-6490000000-4195dca164ca987700bd
Source of Spectrum IY-2-4746-6
Wiley ID 1655449