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CHEBI:41214 - 4-nitrobenzyl alcohol

ChEBI IDCHEBI:41214
ChEBI Name4-nitrobenzyl alcohol
Stars
DefinitionA member of the class of benzyl alcohols that is benzyl alcohol substituted at the para-position by a nitro group.
Last Modified27 March 2020
DownloadsMolfile
FormulaC7H7NO3
Net Charge0
Average Mass153.137
Monoisotopic Mass153.04259
SMILESO=[N+]([O-])c1ccc(CO)cc1
InChIInChI=1S/C7H7NO3/c9-5-6-1-3-7(4-2-6)8(10)11/h1-4,9H,5H2
InChIKeyJKTYGPATCNUWKN-UHFFFAOYSA-N
Roles Classification
Biological Role:
xenobiotic metabolite  Any metabolite produced by metabolism of a xenobiotic compound.
ChEBI Ontology
Outgoing Relation(s)
4-nitrobenzyl alcohol (CHEBI:41214) has role xenobiotic metabolite (CHEBI:76206)
4-nitrobenzyl alcohol (CHEBI:41214) is a C-nitro compound (CHEBI:35716)
4-nitrobenzyl alcohol (CHEBI:41214) is a benzyl alcohols (CHEBI:22743)
IUPAC Name 
(4-nitrophenyl)methanol
Synonyms  Source
PARANITROBENZYL ALCOHOLPDBeChem
p-(hydroxymethyl)nitrobenzeneChemIDplus
4-NitrobenzenemethanolChemIDplus
p-nitrobenzyl alcoholChemIDplus
UniProt Name  Source
4-nitrobenzyl alcoholUniProt
Manual XrefsDatabases
BPNPDBeChem
CPD-702MetaCyc
Registry NumbersSources
Reaxys:1424026Reaxys
CAS:619-73-8ChemIDplus
CAS:619-73-8NIST Chemistry WebBook
Citations