5-fluoro-2-nitrobenzoic Acid Methyl Ester

2-Nitro-5-fluorobenzoic acid methyl ester
3-Methoxycarbonyl-4-nitrofluorobenzene
5-Fluoro-2-nitro-benzoic acid methyl ester
Benzoic acid, 5-fluoro-2-nitro-, methyl ester
Methyl 3-fluoro-6-nitrobenzoate
Methyl 5-fluoro-2-nitrobenzoate

Property	Value
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-]

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	https://www.wikidata.org/wiki/Q72490819	enrich_references.pubchem_identifier_url

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

Everything that changed this substance (54 changes)

Open the changes page

Flow object JSON

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5-fluoro-2-nitrobenzoic Acid Methyl Ester

Identity

Structure

Alternative labels

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