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3-chlorobenzoate

PropertiesImage
MNX_IDMNXM4328 Image of MNXM4328
referencechebi:19984
formulaC7H4ClO2
global charge-1
mol weight155.56
InChIKeyLULAYUGMBFYYEX-UHFFFAOYSA-M
InChIInChI=1S/C7H5ClO2/c8-6-3-1-2-5(4-6)7(9)10/h1-4H,(H,9,10)/p-1
SMILESO=C([O-])C1=CC(Cl)=CC=C1
MNX internals
InChI (mnx)InChI=1/C7H5ClO2/c8-6-3-1-2-5(4-6)7(9)10/h1-4H,(H,9,10) Image of MNXM4328
SMILES (mnx)[CH:1]1=[CH:2][C:5]([C:7](=[O:9])[OH:10])=[CH:4][C:6]([Cl:8])=[CH:3]1
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)9
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:19984
chebi:19984
LULAYUGMBFYYEX-UHFFFAOYSA-M
3-chlorobenzoate
3-chlorobenzoic acid, ion(1-)
m-chlorobenzoate
mCl-benzoate anion

sabiork.compound:28126
sabiorkM:28126
LULAYUGMBFYYEX-UHFFFAOYSA-N
3-Chlorobenzoate
hmdb:HMDB0304117
LULAYUGMBFYYEX-UHFFFAOYSA-M
3-chlorobenzoate
3-Chlorobenzoate, ion(1-)
3-Chlorobenzoic acid
3-Chlorobenzoic acid, ion(1-)
MCL-Benzoate anion
MCL-Benzoic acid anion
Meta-chlorobenzoate
m-Chlorobenzoate
m-Chlorobenzoic acid

metacyc.compound:CPD-3486
metacycM:CPD-3486
seed.compound:cpd24414
seedM:cpd24414
LULAYUGMBFYYEX-UHFFFAOYSA-M
3-chlorobenzoate
3-chlorobenzoic acid
m-chlorobenzoate
m-chlorobenzoic acid
meta-chlorobenzoate

CHEBI:49410
chebi:49410
LULAYUGMBFYYEX-UHFFFAOYSA-N
3-chlorobenzoic acid
m-chlorobenzoic acid

envipath:...4fabb9ac6f0c
envipathM:...4fabb9ac6f0c
LULAYUGMBFYYEX-UHFFFAOYSA-M
compound 0230672
hmdb:HMDB0001544
LULAYUGMBFYYEX-UHFFFAOYSA-N
m-Chlorobenzoic acid
3-Chlorobenzoate
3-chlorobenzoic acid
3-cholro-Benzoate
3-cholro-Benzoic acid
Meta-chlorobenzoate
m-Chlorobenzoate

hmdb:HMDB01544
chebi:19985
chebi:49408
seedM:M_cpd24414
secondary/obsolete/fantasy identifier