CHEBI:195178 - 3-Chlorophenoxyacetic acid

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name 3-Chlorophenoxyacetic acid
ChEBI ID CHEBI:195178
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C8H7ClO3
Net Charge 0
Average Mass 186.590
Monoisotopic Mass 186.00837
InChI InChI=1S/C8H7ClO3/c9-6-2-1-3-7(4-6)12-5-8(10)11/h1-4H,5H2,(H,10,11)
InChIKey XSBUXVWJQVTYLC-UHFFFAOYSA-N
SMILES ClC=1C=C(OCC(O)=O)C=CC1
ChEBI Ontology
Outgoing 3-Chlorophenoxyacetic acid (CHEBI:195178) is a aldoxime (CHEBI:22307)
IUPAC Name
2-(3-chlorophenoxy)acetic acid
Manual Xref Database
11013 ChemSpider
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