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CHEBI:28735 - 4-nitroacetophenone

Default Structure
ChEBI IDCHEBI:28735
ChEBI Name4-nitroacetophenone
Stars
DefinitionA member of the class of acetophenones that is acetophenone substituted at the para-position by a nitro group.
Secondary ChEBI IDsCHEBI:1908, CHEBI:20454
Last Modified30 April 2014
DownloadsMolfile
FormulaC8H7NO3
Net Charge0
Average Mass165.148
Monoisotopic Mass165.04259
SMILESCC(=O)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C8H7NO3/c1-6(10)7-2-4-8(5-3-7)9(11)12/h2-5H,1H3
InChIKeyYQYGPGKTNQNXMH-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
4-nitroacetophenone (CHEBI:28735) is a C-nitro compound (CHEBI:35716)
4-nitroacetophenone (CHEBI:28735) is a acetophenones (CHEBI:22187)
IUPAC Name 
1-(4-nitrophenyl)ethanone
Synonyms  Source
4-NitroacetophenoneKEGG COMPOUND
4'-NitroacetophenoneChemIDplus
4-nitrophenylacetoaldehydeChEBI
Methyl-p-nitrophenyl ketoneChemIDplus
p-AcetylnitrobenzeneChemIDplus
ParanitroacetophenoneChemIDplus
Manual XrefsDatabases
C02803KEGG COMPOUND
CPD-10547MetaCyc
Registry NumbersSources
Reaxys:607777Reaxys
CAS:100-19-6KEGG COMPOUND
CAS:100-19-6ChemIDplus
Citations