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CHEBI:63480 - (3-bromo-4-hydroxy-5-nitrophenyl)acetic acid

ChEBI IDCHEBI:63480
ChEBI Name(3-bromo-4-hydroxy-5-nitrophenyl)acetic acid
Stars
DefinitionA member of the class of phenylacetic acids in which the phenyl group is substituted by bromo, hydroxy, and nitro groups at position 3, 4, and 5 respectively.
Last Modified23 December 2018
SubmitterSteve
DownloadsMolfile
FormulaC8H6BrNO5
Net Charge0
Average Mass276.042
Monoisotopic Mass274.94293
SMILESO=C(O)Cc1cc(Br)c(O)c([N+](=O)[O-])c1
InChIInChI=1S/C8H6BrNO5/c9-5-1-4(3-7(11)12)2-6(8(5)13)10(14)15/h1-2,13H,3H2,(H,11,12)
InChIKeyVUBRNMUKGXUXRH-UHFFFAOYSA-N
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
(3-bromo-4-hydroxy-5-nitrophenyl)acetic acid (CHEBI:63480) is a 2-nitrophenols (CHEBI:86421)
(3-bromo-4-hydroxy-5-nitrophenyl)acetic acid (CHEBI:63480) is a bromobenzenes (CHEBI:37149)
(3-bromo-4-hydroxy-5-nitrophenyl)acetic acid (CHEBI:63480) is a phenylacetic acids (CHEBI:25978)
Incoming Relation(s)
(3-bromo-4-hydroxy-5-nitrophenyl)acetyl group (CHEBI:63479) is substituent group from (3-bromo-4-hydroxy-5-nitrophenyl)acetic acid (CHEBI:63480)
IUPAC Name 
(3-bromo-4-hydroxy-5-nitrophenyl)acetic acid
Synonym  Source
(5-bromo-4-hydroxy-3-nitrophenyl)acetic acidChEBI