Consensus flow list

Potassium (2r)-2-[4-[[5-trifluoromethyl-2-pyridinyl]oxy]phenoxy]propanoate

fo-c9162010fafc510d

Identity

Type
Chemical salt
CAS
1180558-15-9
EC
918-939-8
Origin
EF 3.1 hybrid_name_cas_v1
Changes
55 across every transformer

Structure

Structure diagram for Potassium (2r)-2-[4-[[5-trifluoromethyl-2-pyridinyl]oxy]phenoxy]propanoate

This substance carries 2 candidate structures; the diagram is the first one RDKit could parse, not a settled answer.

Alternative labels

1

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string ZJOXZWTUJDXKOA-SBSPUUFOSA-M
InChI2D string chemrof:inchi2d_string InChI=1S/C15H12F3NO4.K/c1-9(14(20)21)22-11-3-5-12(6-4-11)23-13-7-2-10(8-19-13)15(16,17)18;/h2-9H,1H3,(H,20,21);/q;+1/p-1/t9-;/m1./s1
Isomeric SMILES string chemrof:isomeric_smiles_string C[C@@H](Oc1ccc(Oc2ccc(C(F)(F)F)cn2)cc1)C(=O)[O-].[K+]
IUPAC name chemrof:IUPAC_name Potassium (2r)-2-[4-[[5-trifluoromethyl-2-pyridinyl]oxy]phenoxy]propanoate
Molecular formula chemrof:molecular_formula C15H11F3KNO4
Molecular mass chemrof:molecular_mass 365.348
Monoisotopic mass chemrof:monoisotopic_mass 365.027724
SMILES string chemrof:smiles_string CC(Oc1ccc(Oc2ccc(C(F)(F)F)cn2)cc1)C(=O)[O-].[K+]

Known URLs

5

Where else this substance is described. Collected while the pipeline resolved it — from ChEBI's cross-references, from PubChem's identifier list, and from the CAS number — so a link here is a record the merge actually read, not a search it suggests.

Resource URL Recorded by
CAS Common Chemistry https://commonchemistry.cas.org/detail?cas_rn=1180558-15-9 enrich_references.consensus_cas_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.116.993 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID901010217 enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/138402782 enrich_references.pubchem_compound
wikidata.org https://www.wikidata.org/wiki/Q83006381 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
33f44b1b-3a88-42f3-9b85-ddcff27b110d Environmental → Air → Aircraft cruise height EF 3.1 kg 2
3f684b6e-b312-4b95-82ec-7b4d1a0f50dd Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
f345e6ee-44ba-438c-80fe-d610ecef73ff Environmental → Air → Indoor EF 3.1 kg 2
acf4e02a-248c-462e-b3f4-f9d80c28b251 Environmental → Air → Long-term EF 3.1 kg 0
44bd7bbb-2c24-498d-b4ac-fc24da36064f Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
1e4e0758-fdf6-4962-ba4f-d1151ca0e760 Environmental → Air → Unknown EF 3.1 kg 2
8b57a5ce-b30a-4803-87bd-f4fca1419da6 Environmental → Ground → Agricultural EF 3.1 kg 2
3de9f815-1575-4344-9bc8-a289dff89a0a Environmental → Ground → Non-agricultural EF 3.1 kg 2
ef77c544-ba12-400c-a148-f4c7e76878c8 Environmental → Ground → Unknown EF 3.1 kg 2
354a8397-be4e-4aa6-897e-e35232f3f159 Environmental → Water → Long-term EF 3.1 kg 0
e9e213d5-82b8-4dac-a2a4-be3257c5e341 Environmental → Water → Ocean EF 3.1 kg 2
d9463b6a-e9a6-4b3b-bb7f-15976c6b83f1 Environmental → Water → Surface water EF 3.1 kg 2
cc45742d-e76d-46c7-bec2-758b55e7f93a Environmental → Water → Unknown EF 3.1 kg 2

History

Everything that changed this substance (55 changes)

Open the changes page

Full record

Flow object JSON 
{
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  "altLabel": [
    {
      "@value": "Propanoic acid, 2-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenoxy]-, potassium salt (1:1), (2R)-",
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