Brightway Flows 1.0
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4-nitroanisole

fo-ff2f80660137ce95

Identity

Type
Neutral molecule
CAS
100-17-4
EC
202-825-3
Origin
EF 3.1 hybrid_name_cas_v1
Changes
56 across every transformer

Structure

Structure diagram for 4-nitroanisole

Alternative labels

15

Properties

PropertyValue
Elemental charge chemrof:elemental_charge 0
InChI2D key string chemrof:inchi2d_key_string BNUHAJGCKIQFGE-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C7H7NO3/c1-11-7-4-2-6(3-5-7)8(9)10/h2-5H,1H3
IUPAC name chemrof:IUPAC_name 4-nitroanisole
Molecular formula chemrof:molecular_formula C7H7NO3
Molecular mass chemrof:molecular_mass 153.137
Monoisotopic mass chemrof:monoisotopic_mass 153.04259, 153.042593
SMILES string chemrof:smiles_string COc1ccc([N+](=O)[O-])cc1

Known URLs

17

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=100-17-4 enrich_references.chebi_xrefs
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:1911 enrich_references.chebi_id_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.002.569 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID9059208 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=5507 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL57537 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/G989Z7WOLH enrich_references.pubchem_identifier_url
HMDB https://hmdb.ca/metabolites/HMDB0246530 enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J4.003G enrich_references.pubchem_identifier_url
KEGG https://www.genome.jp/entry/C07555 enrich_references.chebi_xrefs
kegg.jp https://www.kegg.jp/entry/C07555 enrich_references.pubchem_identifier_url
metabolomicsworkbench.org https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=52875 enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/7485 enrich_references.pubchem_compound
PubMed https://pubmed.ncbi.nlm.nih.gov/1796601 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/20954696 enrich_references.chebi_xrefs
reaxys reaxys:1865361 enrich_references.chebi_xrefs
Wikidata https://www.wikidata.org/wiki/Q27105525 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
4da7b73b-434e-4ef3-b5e3-cc502adf99fe Environmental → Air → Aircraft cruise height EF 3.1 kg 2
5ccd1836-09f4-4e8a-b849-3f2014eb1625 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
991a4699-3517-464d-9d62-3eeddea6755f Environmental → Air → Indoor EF 3.1 kg 2
cb0c020d-c563-423d-870b-1dba4b290217 Environmental → Air → Long-term EF 3.1 kg 0
1dfbbadc-391d-4fee-96fc-4280630f6984 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
046107da-9283-45fe-a67d-a46dee566a37 Environmental → Air → Unknown EF 3.1 kg 2
68f6406a-592c-4f19-ba7e-8e2ad3576a5e Environmental → Ground → Agricultural EF 3.1 kg 2
5540c218-d4a7-44bc-b661-c47348afdb90 Environmental → Ground → Non-agricultural EF 3.1 kg 2
a0b047ca-61d7-4e20-bf17-03be49a47dc2 Environmental → Ground → Unknown EF 3.1 kg 2
990d73d0-d717-4005-a02b-ec0cea3eabf0 Environmental → Water → Long-term EF 3.1 kg 0
d74f7887-92e1-4763-8d34-2e1507b22760 Environmental → Water → Ocean EF 3.1 kg 2
e8b6da2a-93cd-4aa5-a8d3-9af99a5813e6 Environmental → Water → Surface water EF 3.1 kg 2
560ecf11-f6ad-46f6-9675-c4aed23448d8 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-ff2f80660137ce95",
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  ],
  "altLabel": [
    {
      "@value": "1-methoxy-4-nitrobenzene",
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    },
    {
      "@value": "1-Nitro-4-methoxybenzene",
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    },
    {
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You do not need to run a build or clone anything. Name the record and say what your evidence is; the measurement is done for you. How contributing works

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