Consensus flow list

Identity

Type
Neutral molecule
CAS
71283-80-2
EC
Origin
EF 3.1 hybrid_name_cas_v1
Changes
56 across every transformer

Structure

Structure diagram for Fenoxaprop-p-ethyl

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

Alternative labels

29

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string PQKBPHSEKWERTG-LLVKDONJSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C18H16ClNO5/c1-3-22-17(21)11(2)23-13-5-7-14(8-6-13)24-18-20-15-9-4-12(19)10-16(15)25-18/h4-11H,3H2,1-2H3/t11-/m1/s1
Isomeric SMILES string chemrof:isomeric_smiles_string CCOC(=O)[C@@H](C)Oc1ccc(Oc2nc3ccc(Cl)cc3o2)cc1
IUPAC name chemrof:IUPAC_name Ethyl (2R)-2-[4-(6-chloro-2-benzoxazolyloxy)phenoxy]propionate
Molecular formula chemrof:molecular_formula C18H16ClNO5
Molecular mass chemrof:molecular_mass 361.781
Monoisotopic mass chemrof:monoisotopic_mass 361.0717
SMILES string chemrof:smiles_string CCOC(=O)C(C)Oc1ccc(Oc2nc3ccc(Cl)cc3o2)cc1

Known URLs

7

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=71283-80-2 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID2034598 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL2251729 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/54CSW9U08K enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J285.366C enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/91707 enrich_references.pubchem_compound
wikidata.org https://www.wikidata.org/wiki/Q16064370 enrich_references.pubchem_identifier_url

Elementary flows

14
Flow Context Source Unit CFs
3e4d9ea4-6556-11dd-ad8b-0800200c9a66 Environmental → Air → Aircraft cruise height EF 3.1 kg 4
3e4d9ea6-6556-11dd-ad8b-0800200c9a66 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 4
64b5d62e-a9bb-4dc6-aecc-4c6177df7616 Environmental → Air → Indoor EF 3.1 kg 4
3e4d9ea3-6556-11dd-ad8b-0800200c9a66 Environmental → Air → Long-term EF 3.1 kg 0
3e4d9ea5-6556-11dd-ad8b-0800200c9a66 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 4
3e4d9ea2-6556-11dd-ad8b-0800200c9a66 Environmental → Air → Unknown EF 3.1 kg 4
08a91e70-3ddc-11dd-93a9-0050c2490048 Environmental → Ground → Agricultural EF 3.1 kg 4
08a91e70-3ddc-11dd-93b2-0050c2490048 Environmental → Ground → Non-agricultural EF 3.1 kg 4
03e999095ad119e3b11d914739152483415518c2 Environmental → Ground → Silvicultural ecoinvent algorithm addition kg 0
08a91e70-3ddc-11dd-93ae-0050c2490048 Environmental → Ground → Unknown EF 3.1 kg 4
08a91e70-3ddc-11dd-93b0-0050c2490048 Environmental → Water → Long-term EF 3.1 kg 0
08a91e70-3ddc-11dd-93b3-0050c2490048 Environmental → Water → Ocean EF 3.1 kg 4
08a91e70-3ddc-11dd-93af-0050c2490048 Environmental → Water → Surface water EF 3.1 kg 4
08a91e70-3ddc-11dd-93b1-0050c2490048 Environmental → Water → Unknown EF 3.1 kg 4

History

Everything that changed this substance (56 changes)

Open the changes page

Full record

Flow object JSON
{
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    {
      "@value": "Fenoxaprop P-ethyl",
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      "@value": "Furore Super",
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    {
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    {
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      "@value": "Propanoic acid, 2-[4-[(6-chloro-2-benzoxazolyl)oxy]phenoxy]-, ethyl ester, (2R)-",
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      "@value": "Pujing",
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    },
    {
      "@value": "Puma",
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      "@value": "Puma (herbicide)",
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    {
      "@value": "Ralon super",
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    {
      "@value": "Ricestar",
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    },
    {
      "@value": "Super Whip",
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    },
    {
      "@value": "Whip S",
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      "@value": "Whip Super",
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  "properties": {
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    "seed_uuid": "08a91e70-3ddc-11dd-93a9-0050c2490048",
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    "semantic_typing": {
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}

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