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2-chlorobenzoate

PropertiesImage
MNX_IDMNXM3458 Image of MNXM3458
referencechebi:28303
formulaC7H4ClO2
global charge-1
mol weight155.56
InChIKeyIKCLCGXPQILATA-UHFFFAOYSA-M
InChIInChI=1S/C7H5ClO2/c8-6-4-2-1-3-5(6)7(9)10/h1-4H,(H,9,10)/p-1
SMILESO=C([O-])C1=C(Cl)C=CC=C1
MNX internals
InChI (mnx)InChI=1/C7H5ClO2/c8-6-4-2-1-3-5(6)7(9)10/h1-4H,(H,9,10) Image of MNXM3458
SMILES (mnx)[CH:1]1=[CH:2][CH:4]=[C:6]([Cl:8])[C:5]([C:7](=[O:9])[OH:10])=[CH:3]1
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)3
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:28303
chebi:28303
IKCLCGXPQILATA-UHFFFAOYSA-M
2-chlorobenzoate
o-chlorobenzoate
oCl-benzoate anion

envipath:...b014a130bc90
envipathM:...b014a130bc90
IKCLCGXPQILATA-UHFFFAOYSA-M
2-Chlorobenzoate

seed.compound:cpd01574
seedM:cpd01574
IKCLCGXPQILATA-UHFFFAOYSA-M
2-Chlorobenzoate
2-Chlorobenzoic acid
2-chlorobenzoate
2-chlorobenzoic acid
o-Chlorobenzoic acid
o-chlorobenzoic acid

sabiork.compound:6159
sabiorkM:6159
kegg.compound:C02357
keggC:C02357
IKCLCGXPQILATA-UHFFFAOYSA-N
2-Chlorobenzoate
2-Chlorobenzoic acid
o-Chlorobenzoic acid
hmdb:HMDB0245065
IKCLCGXPQILATA-UHFFFAOYSA-N
2-Chlorobenzoic acid
2-Chlorobenzoate
2-Chlorobenzoic acid, copper (2+) salt
2-Chlorobenzoic acid, nickel (2+) salt
2-Chlorobenzoic acid, potassium salt
2-chlorobenzoic acid
O-Chlorobenzoate
O-Chlorobenzoic acid
chlorobenzoate

metacyc.compound:CPD-256
metacycM:CPD-256
IKCLCGXPQILATA-UHFFFAOYSA-M
2-chlorobenzoate
2-chlorobenzoic acid
o-chlorobenzoic acid

CHEBI:30793
chebi:30793
IKCLCGXPQILATA-UHFFFAOYSA-N
2-chlorobenzoic acid
2-Chlorobenzoic acid
o-Chlorobenzoic acid
o-chlorobenzoic acid

envipath:...70f5c6084530
envipathM:...70f5c6084530
IKCLCGXPQILATA-UHFFFAOYSA-N
M02 (2-chlorobenzoic acid)
2-Chlorobenzoic acid
AE C500233, 2-Chlorobenzoic acid
M02 2-chlorobenzoic acid
M20 2-chlorobenzoic acid

envipath:...cca36f125f2f
envipathM:...cca36f125f2f
IKCLCGXPQILATA-UHFFFAOYSA-N
M02 (2-chlorobenzoic acid)
M02 2-chlorobenzoic acid

envipath:...f8eacbb7c153
envipathM:...f8eacbb7c153
envipath:...a32506ec2d01
envipathM:...a32506ec2d01
IKCLCGXPQILATA-UHFFFAOYSA-N
Spike compound 0000232

envipath:...ff4bd1760626
envipathM:...ff4bd1760626
IKCLCGXPQILATA-UHFFFAOYSA-M
compound 0048484

chebi:1043
chebi:11540
chebi:19505
chebi:19506
keggC:M_C02357
seedM:M_cpd01574
secondary/obsolete/fantasy identifier