Brightway Flows 1.0
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Aryl Substituted Aryl Substituted Aryl Triazin

fo-2e50d3f4a72c6c19

Identity

Type
Neutral molecule
CAS
252285-60-2
EC
607-654-1
Origin
EF 3.1 hybrid_name_cas_v1
Changes
54 across every transformer

Structure

Structure diagram for Aryl Substituted Aryl Substituted Aryl Triazin

Alternative labels

2

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string PWWRPPKIWLDSIM-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C23H19N3O2/c1-2-28-18-14-12-17(13-15-18)22-24-21(16-8-4-3-5-9-16)25-23(26-22)19-10-6-7-11-20(19)27/h3-15,27H,2H2,1H3
IUPAC name chemrof:IUPAC_name 2-[4-(4-Ethoxyphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenol
Molecular formula chemrof:molecular_formula C23H19N3O2
Molecular mass chemrof:molecular_mass 369.424
Monoisotopic mass chemrof:monoisotopic_mass 369.147727
SMILES string chemrof:smiles_string CCOc1ccc(-c2nc(-c3ccccc3)nc(-c3ccccc3O)n2)cc1

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=252285-60-2 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID101044999 enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J2.971.527K enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/136146573 enrich_references.pubchem_compound
Wikidata https://www.wikidata.org/wiki/Q126606717 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
83157a4b-6f04-4c1a-b282-6b1235777e39 Environmental → Air → Aircraft cruise height EF 3.1 kg 4
e40b5faf-a999-4fef-a735-80dd4b8f9cb6 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 4
23570992-5c21-496a-b15e-0a5dd15e31b1 Environmental → Air → Indoor EF 3.1 kg 4
a52f534d-7071-42dd-930d-67d0d780e3f1 Environmental → Air → Long-term EF 3.1 kg 0
722a40a1-d313-4a80-83c4-0ead94715ebf Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 4
c3031a82-5cd0-4803-9b55-41a1752cb953 Environmental → Air → Unknown EF 3.1 kg 4
1aaf7473-0acc-4880-962f-de0ce7aee875 Environmental → Ground → Agricultural EF 3.1 kg 4
f52cca2b-0956-47aa-b122-7f2563a02c6d Environmental → Ground → Non-agricultural EF 3.1 kg 4
db90b23e-9d5e-4e50-86cc-b7f8ba975049 Environmental → Ground → Unknown EF 3.1 kg 4
043977a2-4394-40f3-a7ef-f09f2b1d8e16 Environmental → Water → Long-term EF 3.1 kg 0
4d207379-927c-4e8e-9514-6b387f567294 Environmental → Water → Ocean EF 3.1 kg 4
040bbe43-a7c4-4652-9da9-7b4908884eb9 Environmental → Water → Surface water EF 3.1 kg 4
7bf5bfa4-af08-421f-8318-d5e63e5f8d20 Environmental → Water → Unknown EF 3.1 kg 4

History

Everything that changed this substance (54 changes)

Open the changes page

Full record

Flow object JSON 
{
  "flow_object_id": "fo-2e50d3f4a72c6c19",
  "prefLabel": [
    {
      "@value": "Aryl Substituted Aryl Substituted Aryl Triazin",
      "@language": "en",
      "@lang": "en",
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  ],
  "altLabel": [
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    },
    {
      "@value": "Phenol, 2-[4-(4-ethoxyphenyl)-6-phenyl-1,3,5-triazin-2-yl]-",
      "@language": "en",
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  "properties": {
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    },
    "https://w3id.org/chemrof/monoisotopic_mass": {
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      "rdfs:label": "Monoisotopic mass",
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  },
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  ],
  "created_from": {
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    "seed_uuid": "040bbe43-a7c4-4652-9da9-7b4908884eb9",
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    "semantic_typing": {
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}

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