Consensus flow list

5-fluoro-2-nitrobenzoic Acid Methyl Ester

fo-5acb5c2be03c82cc

Identity

Type
Neutral molecule
CAS
393-85-1
EC
609-664-1
Origin
EF 3.1 hybrid_name_cas_v1
Changes
54 across every transformer

Structure

Structure diagram for 5-fluoro-2-nitrobenzoic Acid Methyl Ester

Alternative labels

6

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string LCAUVFVOLNRVKG-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C8H6FNO4/c1-14-8(11)6-4-5(9)2-3-7(6)10(12)13/h2-4H,1H3
IUPAC name chemrof:IUPAC_name 5-fluoro-2-nitrobenzoic Acid Methyl Ester
Molecular formula chemrof:molecular_formula C8H6FNO4
Molecular mass chemrof:molecular_mass 199.137
Monoisotopic mass chemrof:monoisotopic_mass 199.028086
SMILES string chemrof:smiles_string COC(=O)c1cc(F)ccc1[N+](=O)[O-]

Known URLs

6

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=393-85-1 enrich_references.pubchem_identifier_url
chem.echa.europa.eu https://chem.echa.europa.eu/100.106.294 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID60408886 enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J1.367.655K enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/5152049 enrich_references.pubchem_compound
wikidata.org https://www.wikidata.org/wiki/Q72490819 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
0db4ac76-8255-462b-ad75-7bd8d35d7c83 Environmental → Air → Aircraft cruise height EF 3.1 kg 4
20ea9110-5102-440a-b374-5f2fc84dae54 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 4
33da65c4-778d-4d55-917e-16e582cbb141 Environmental → Air → Indoor EF 3.1 kg 4
78943007-19f2-4e25-a3e7-861e362405d4 Environmental → Air → Long-term EF 3.1 kg 0
953c28b9-281a-4612-9e11-fa6a8be009de Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 4
d8d1c989-1479-4b23-af85-40b2e850f753 Environmental → Air → Unknown EF 3.1 kg 4
26598b76-cf46-44e5-b4cc-1d14b81bb7fc Environmental → Ground → Agricultural EF 3.1 kg 4
502f4859-a022-465c-b310-3cfab43f2f7f Environmental → Ground → Non-agricultural EF 3.1 kg 4
02750841-aeae-40c0-a27b-d8606932c921 Environmental → Ground → Unknown EF 3.1 kg 4
dcd84f44-4561-453e-a84b-0e12207826e8 Environmental → Water → Long-term EF 3.1 kg 0
dba310b4-7d72-4092-944a-116db23a1683 Environmental → Water → Ocean EF 3.1 kg 4
1b08d50b-75a6-441c-9dca-b48833e85344 Environmental → Water → Surface water EF 3.1 kg 4
d8014497-7810-4afe-89c4-41e0af3f091a 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 
{
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}

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