2-[(6-CHLORO-2,4-DIOXO-3,4-DIHYDROPYRIMIDIN-1(2H)-YL)METHYL]BENZONITRILE
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2-[(6-CHLORO-2,4-DIOXO-3,4-DIHYDROPYRIMIDIN-1(2H)-YL)METHYL]BENZONITRILE
structure -
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CAS No:
865758-95-8
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Formula:
C12H8ClN3O2
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Chemical Name:
2-[(6-CHLORO-2,4-DIOXO-3,4-DIHYDROPYRIMIDIN-1(2H)-YL)METHYL]BENZONITRILE
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Synonyms:
2-[(6-CHLORO-2,4-DIOXO-3,4-DIHYDROPYRIMIDIN-1(2H)-YL)METHYL]BENZONITRILE;2-((6-Chloro-2,4-dioxo-3,4-dihydro-2H-pyrimidin-1-yl)methyl)benzonitrile;2-[(6-Chloro-3,4-dihydro-2,4-dioxo-1(2H)-pyriMidinyl)Methyl]-benzonitrile;Agger coluMn dean interMediates;Benzonitrile, 2-[(6-chloro-3,4-dihydro-2,4-dioxo-1(2H)-pyrimidinyl)methyl]-;Alogliptin Related Compound 27
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CAS No:
2-[(6-CHLORO-2,4-DIOXO-3,4-DIHYDROPYRIMIDIN-1(2H)-YL)METHYL]BENZONITRILE Basic Attributes
261.665
261.030518
DTXSID50463469
2933599090
2-[(6-CHLORO-2,4-DIOXO-3,4-DIHYDROPYRIMIDIN-1(2H)-YL)METHYL]BENZONITRILE Use and Manufacturing
Alogliptin (A575425) intermediate.
Computed Properties
Molecular Weight:261.66
XLogP3:1.3
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:2
Exact Mass:261.0305042
Monoisotopic Mass:261.0305042
Topological Polar Surface Area:73.2
Heavy Atom Count:18
Complexity:452
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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2-[(6-CHLORO-2,4-DIOXO-3,4-DIHYDROPYRIMIDIN-1(2H)-YL)METHYL]BENZONITRILE
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