Search MNXref
 Feedback

4-bromobenzoic acid

PropertiesImage
MNX_IDMNXM37357 Image of MNXM37357
referencechebi:60698
formulaC7H5BrO2
global charge0
mol weight201.019
InChIKeyTUXYZHVUPGXXQG-UHFFFAOYSA-N
InChIInChI=1S/C7H5BrO2/c8-6-3-1-5(2-4-6)7(9)10/h1-4H,(H,9,10)
SMILESO=C(O)C1=CC=C(Br)C=C1
MNX internals
InChI (mnx)InChI=1/C7H5BrO2/c8-6-3-1-5(2-4-6)7(9)10/h1-4H,(H,9,10) Image of MNXM37357
SMILES (mnx)[CH:1]1=[CH:3][C:6]([Br:8])=[CH:4][CH:2]=[C:5]1[C:7]([OH:9])=[O:10]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)1
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:60698
chebi:60698
TUXYZHVUPGXXQG-UHFFFAOYSA-N
4-bromobenzoic acid
4-Brom-benzoesaeure
4-carboxybromobenzene
p-Bromobenzenecarboxylic acid
p-Carboxybromobenzene
p-bromobenzoic acid

sabiork.compound:28650
sabiorkM:28650
TUXYZHVUPGXXQG-UHFFFAOYSA-N
4-Bromobenzoate

metacyc.compound:CPD-11213
metacycM:CPD-11213
seed.compound:cpd22889
seedM:cpd22889
TUXYZHVUPGXXQG-UHFFFAOYSA-M
4-bromobenzoate

CHEBI:188472
chebi:188472
TUXYZHVUPGXXQG-UHFFFAOYSA-M
4-bromobenzoate
p-bromobenzoate
pBr-benzoate anion

seedM:M_cpd22889
secondary/obsolete/fantasy identifier