Consensus flow list

Metolachlor (s-isomer)

fo-69df004a91305c32

Identity

Type
Neutral molecule
CAS
87392-12-9
EC
—
Origin
EF 3.1 hybrid_name_cas_v1
Changes
56 across every transformer

Structure

Structure diagram for Metolachlor (s-isomer)

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

Alternative labels

16

Properties

PropertyValue
Elemental charge chemrof:elemental_charge 0
InChI2D key string chemrof:inchi2d_key_string WVQBLGZPHOPPFO-LBPRGKRZSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C15H22ClNO2/c1-5-13-8-6-7-11(2)15(13)17(14(18)9-16)12(3)10-19-4/h6-8,12H,5,9-10H2,1-4H3/t12-/m0/s1
Isomeric SMILES string chemrof:isomeric_smiles_string CCc1cccc(C)c1N(C(=O)CCl)[C@@H](C)COC
IUPAC name chemrof:IUPAC_name 2-chloro-N-(2-ethyl-6-methylphenyl)-N-[(2S)-1-methoxypropan-2-yl]acetamide
Molecular formula chemrof:molecular_formula C15H22ClNO2
Molecular mass chemrof:molecular_mass 283.799
Monoisotopic mass chemrof:monoisotopic_mass 283.133907, 283.13391
SMILES string chemrof:smiles_string CCc1cccc(C)c1N(C(=O)CCl)C(C)COC

Known URLs

14

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=87392-12-9 enrich_references.chebi_xrefs
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:83647 enrich_references.chebi_id_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.133.472 enrich_references.pubchem_identifier_url
chem.echa.europa.eu https://chem.echa.europa.eu/100.261.131 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID6032431 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL2251445 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/1O4NMK7I6H enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J2.338.058G enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J973.995E enrich_references.pubchem_identifier_url
pesticides pesticides:s-metolachlor enrich_references.chebi_xrefs
ppdb ppdb:1027 enrich_references.chebi_xrefs
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/11140605 enrich_references.pubchem_compound
reaxys reaxys:6483536 enrich_references.chebi_xrefs
wikidata.org https://www.wikidata.org/wiki/Q27157051 enrich_references.pubchem_identifier_url

Elementary flows

15
Flow Context Source Unit CFs
64b1ce32-6556-11dd-ad8b-0800200c9a66 Environmental → Air → Aircraft cruise height EF 3.1 kg 2
08a91e70-3ddc-11dd-90da-0050c2490048 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
4f810505-4f52-4d15-a7df-27f9ff1db79d Environmental → Air → Indoor EF 3.1 kg 2
08a91e70-3ddc-11dd-90d9-0050c2490048 Environmental → Air → Long-term EF 3.1 kg 0
08a91e70-3ddc-11dd-90ec-0050c2490048 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
08a91e70-3ddc-11dd-90d8-0050c2490048 Environmental → Air → Unknown EF 3.1 kg 2
08a91e70-3ddc-11dd-90d2-0050c2490048 Environmental → Ground → Agricultural EF 3.1 kg 2
08a91e70-3ddc-11dd-9ae0-0050c2490048 Environmental → Ground → Non-agricultural EF 3.1 kg 2
535a01630e9d2df1cbb7e479b3b3a5936af374ed Environmental → Ground → Silvicultural ecoinvent algorithm addition kg 0
08a91e70-3ddc-11dd-90d7-0050c2490048 Environmental → Ground → Unknown EF 3.1 kg 2
08a91e70-3ddc-11dd-90ee-0050c2490048 Environmental → Water → Long-term EF 3.1 kg 0
08a91e70-3ddc-11dd-9ae1-0050c2490048 Environmental → Water → Ocean EF 3.1 kg 2
08a91e70-3ddc-11dd-90ed-0050c2490048 Environmental → Water → Surface water EF 3.1 kg 2
ddbc84ebd039164e8d73e1389b6597b801c42da0 Environmental → Water → Unconfined aquifer ecoinvent algorithm addition kg 0
08a91e70-3ddc-11dd-9ad4-0050c2490048 Environmental → Water → Unknown EF 3.1 kg 2

History

Everything that changed this substance (56 changes)

Open the changes page

Full record

Flow object JSON 
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