CHEBI:82635 - 4-nitrophenyl acetate

Main

ChEBI Ontology

Automatic Xrefs

Reactions

Pathways

Models

ChEBI Name 4-nitrophenyl acetate ChEBI ID CHEBI:82635 Definition A phenyl acetate resulting from the formal condensation of the hydroxy group of 4-nitrophenol with the carboxy group of acetic acid. Stars This entity has been manually annotated by the ChEBI Team. Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C8H7NO4 Net Charge 0 Average Mass 181.14550 Monoisotopic Mass 181.03751 InChI InChI=1S/C8H7NO4/c1-6(10)13-8-4-2-7(3-5-8)9(11)12/h2-5H,1H3 InChIKey QAUUDNIGJSLPSX-UHFFFAOYSA-N SMILES CC(=O)Oc1ccc(cc1)[N+]([O-])=O ChEBI Ontology Outgoing 4-nitrophenyl acetate (CHEBI:82635) has functional parent 4-nitrophenol (CHEBI:16836) 4-nitrophenyl acetate (CHEBI:82635) is a C-nitro compound (CHEBI:35716) 4-nitrophenyl acetate (CHEBI:82635) is a phenyl acetates (CHEBI:140310) IUPAC Name 4-nitrophenyl acetate Synonyms Sources 4-nitrophenyl acetate UniProt 4-O2NC6H4OAc ChEBI Acetic acid p-nitrophenyl ester ChemIDplus p-acetoxynitrobenzene ChemIDplus p-nitrophenol acetate ChemIDplus p-nitrophenyl acetate ChEBI Manual Xref Database P-NITROPHENYL-ACETATE MetaCyc View more database links Registry Numbers Types Sources 515874 Reaxys Registry Number Reaxys 830-03-5 CAS Registry Number ChemIDplus 830-03-5 CAS Registry Number NIST Chemistry WebBook Citations Types Sources 1009629 PubMed citation Europe PMC 10220579 PubMed citation Europe PMC 16539529 PubMed citation Europe PMC 19104860 PubMed citation Europe PMC 22771811 PubMed citation Europe PMC 241394 PubMed citation Europe PMC 3090030 PubMed citation Europe PMC 3197397 PubMed citation Europe PMC 3732285 PubMed citation Europe PMC 3800952 PubMed citation Europe PMC Last Modified 23 January 2023