Consensus flow list

Identity

Type
Neutral molecule
CAS
13360-45-7
EC
236-411-9
Origin
EF 3.1 hybrid_name_cas_v1
Changes
56 across every transformer

Structure

Structure diagram for Chlorbromuron

Alternative labels

14

Properties

PropertyValue
Elemental charge chemrof:elemental_charge 0
InChI2D key string chemrof:inchi2d_key_string NLYNUTMZTCLNOO-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C9H10BrClN2O2/c1-13(15-2)9(14)12-6-3-4-7(10)8(11)5-6/h3-5H,1-2H3,(H,12,14)
IUPAC name chemrof:IUPAC_name 1-(3-Chloro-4-bromophenyl)-3-methyl-3-methoxyurea
Molecular formula chemrof:molecular_formula C9H10BrClN2O2
Molecular mass chemrof:molecular_mass 293.548
Monoisotopic mass chemrof:monoisotopic_mass 291.961417, 291.96142
SMILES string chemrof:smiles_string CON(C)C(=O)Nc1ccc(Br)c(Cl)c1

Known URLs

13

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=13360-45-7 enrich_references.chebi_xrefs
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:3608 enrich_references.chebi_id_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.033.087 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID6040290 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL1275654 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/2X2DQC5EHG enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J2.738C enrich_references.pubchem_identifier_url
KEGG https://www.genome.jp/entry/C11009 enrich_references.chebi_xrefs
kegg.jp https://www.kegg.jp/entry/C11009 enrich_references.pubchem_identifier_url
metabolomicsworkbench.org https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=67696 enrich_references.pubchem_identifier_url
ppdb ppdb:132 enrich_references.chebi_xrefs
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/25912 enrich_references.pubchem_compound
wikidata.org https://www.wikidata.org/wiki/Q22807251 enrich_references.pubchem_identifier_url

Elementary flows

14
Flow Context Source Unit CFs
61023f00-fdc9-4f3e-a33f-1aa31903a7b7 Environmental → Air → Aircraft cruise height EF 3.1 kg 2
1259b680-2273-479c-9acb-9d3f9b14220c Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
e7a1598a-3941-4183-8ec4-a7fd7a023725 Environmental → Air → Indoor EF 3.1 kg 2
9866ed4c-bd9f-4ba4-a35f-a4601fd68052 Environmental → Air → Long-term EF 3.1 kg 0
86a19896-9842-49d3-8f6c-b3973dd648d2 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
ab2c7bef-31c1-407f-937c-e412ff6999a0 Environmental → Air → Unknown EF 3.1 kg 2
d4cae263-b7cd-4aa6-8ef5-60615d8e83ad Environmental → Ground → Agricultural EF 3.1 kg 2
02415da6-dd5f-4280-a4b2-a96558f9b9bb Environmental → Ground → Non-agricultural EF 3.1 kg 2
197ff01bd37b9f2cb50e04d75f8a913317a966bb Environmental → Ground → Silvicultural ecoinvent algorithm addition kg 0
6076e0e4-ec44-4f77-9847-ac4c11c4030a Environmental → Ground → Unknown EF 3.1 kg 2
bdb3734f-bad0-4536-8f77-be9635ccc441 Environmental → Water → Long-term EF 3.1 kg 0
3f563dcc-f217-4cbf-8130-7023c25958b7 Environmental → Water → Ocean EF 3.1 kg 2
6bbf71a9-1dfb-42bb-ae98-298036c9ca60 Environmental → Water → Surface water EF 3.1 kg 2
3d2ad137-1578-45aa-8f64-516352007db2 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
{
  "flow_object_id": "fo-67839d8c07b216c7",
  "prefLabel": [
    {
      "@value": "Chlorbromuron",
      "@language": "en",
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  ],
  "altLabel": [
    {
      "@value": "1-(3-Chloro-4-bromophenyl)-3-methyl-3-methoxyurea",
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