2-(4-(ACETYLAMINO)-3-NITROPHENYL)PROPIONITRILE
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2-(4-(ACETYLAMINO)-3-NITROPHENYL)PROPIONITRILE
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CAS No:
57555-89-2
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Formula:
C11H11N3O3
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Chemical Name:
2-(4-(ACETYLAMINO)-3-NITROPHENYL)PROPIONITRILE
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Synonyms:
2-(4-(ACETYLAMINO)-3-NITROPHENYL)PROPIONITRILE;N-[4-(1-Cyanoethyl)-2-nitrophenyl]acetamide;2-(4-(acetylamino)-3-nitrophenyl)propanitrile;N-[4-(Cyano-methyl-methyl)-2-nitro-phenyl]-acetamide;SCHEMBL4141603;CTK5A7062;DTXSID70481342
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CAS No:
2-(4-(ACETYLAMINO)-3-NITROPHENYL)PROPIONITRILE Use and Manufacturing
Methyl benzylacetonitrile with dimethyl sulfate to produce 2-phenylpropionitrile, then nitrate with mixed acid, and obtain 2-(4-acetamidophenyl)propionitrile through reduction and acetylation. The latter is then nitrated with mixed acid to obtain the product.
Intermediate of flupirprofen.
Computed Properties
Molecular Weight:233.22
XLogP3:1.4
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:2
Exact Mass:233.08004122
Monoisotopic Mass:233.08004122
Topological Polar Surface Area:98.7
Heavy Atom Count:17
Complexity:355
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
2-(4-(ACETYLAMINO)-3-NITROPHENYL)PROPIONITRILE
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