Consensus flow list

P-nitrobenzoic Acid-2-ethylhexylester

fo-29489efa935e99c1

Identity

Type
Neutral molecule
CAS
16397-70-9
EC
605-350-3
Origin
EF 3.1 hybrid_name_cas_v1
Changes
55 across every transformer

Structure

Structure diagram for P-nitrobenzoic Acid-2-ethylhexylester

Alternative labels

4

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string NPSJHQMIVNJLNN-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C15H21NO4/c1-3-5-6-12(4-2)11-20-15(17)13-7-9-14(10-8-13)16(18)19/h7-10,12H,3-6,11H2,1-2H3
IUPAC name chemrof:IUPAC_name 2-Ethylhexyl 4-nitrobenzoate
Molecular formula chemrof:molecular_formula C15H21NO4
Molecular mass chemrof:molecular_mass 279.336
Monoisotopic mass chemrof:monoisotopic_mass 279.147058
SMILES string chemrof:smiles_string CCCCC(CC)COC(=O)c1ccc([N+](=O)[O-])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=16397-70-9 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID80343664 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL5267658 enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/591313 enrich_references.pubchem_compound
wikidata.org https://www.wikidata.org/wiki/Q72475110 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
cbacb8e8-612e-40fe-a32f-3862bba7ad4e Environmental → Air → Aircraft cruise height EF 3.1 kg 2
4592cb2f-bc68-44d1-a5a3-cc073ad5cb16 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
4f578411-810f-4c86-9a53-e1f34da3020b Environmental → Air → Indoor EF 3.1 kg 2
3a67c503-2fe4-45b6-82c9-573d4865bb7a Environmental → Air → Long-term EF 3.1 kg 0
524c53fc-89e2-48ca-a055-023987924592 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
b7657aa9-71bb-45cd-89b5-3e0fe42376b6 Environmental → Air → Unknown EF 3.1 kg 2
427086fb-248b-462b-86b1-f5f856da9041 Environmental → Ground → Agricultural EF 3.1 kg 2
a3f1b59d-51b9-4fd3-b618-17377a1c767e Environmental → Ground → Non-agricultural EF 3.1 kg 2
da9d6b77-b051-41eb-be0f-16bf447d9865 Environmental → Ground → Unknown EF 3.1 kg 2
f230099e-28dc-4a5f-b5ef-f7846be23aed Environmental → Water → Long-term EF 3.1 kg 0
054eb238-5095-46a1-9886-e19f702dfd16 Environmental → Water → Ocean EF 3.1 kg 2
ef60593f-cdcf-4c27-9d14-2d454980e6cb Environmental → Water → Surface water EF 3.1 kg 2
63775c50-15a9-41b0-a203-0dfc7e76ecb2 Environmental → Water → Unknown EF 3.1 kg 2

History

Everything that changed this substance (55 changes)

Open the changes page

Full record

Flow object JSON 
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}

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