4-(methylsulfonyl)-2-nitrobenzoic Acid

2-Nitro-4-(methylsulfonyl)benzoic acid
2-Nitro-p-methylsulfonyl benzoic acid
4-Mesyl-2-nitrobenzoic acid
Benzoic acid, 4-(methylsulfonyl)-2-nitro-

Property	Value
InChI2D key string chemrof:inchi2d_key_string	QNOUABMNRMROSL-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string	InChI=1S/C8H7NO6S/c1-16(14,15)5-2-3-6(8(10)11)7(4-5)9(12)13/h2-4H,1H3,(H,10,11)
IUPAC name chemrof:IUPAC_name	4-(methylsulfonyl)-2-nitrobenzoic Acid
Molecular formula chemrof:molecular_formula	C8H7NO6S
Molecular mass chemrof:molecular_mass	245.212
Monoisotopic mass chemrof:monoisotopic_mass	244.999408
SMILES string chemrof:smiles_string	CS(=O)(=O)c1ccc(C(=O)O)c([N+](=O)[O-])c1

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=110964-79-9	enrich_references.pubchem_identifier_url
chem.echa.europa.eu	https://chem.echa.europa.eu/100.115.998	enrich_references.pubchem_identifier_url
comptox.epa.gov	https://comptox.epa.gov/dashboard/DTXSID0074639	enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov	https://gsrs.ncats.nih.gov/ginas/app/beta/substances/J4SJH38VPA	enrich_references.pubchem_identifier_url
jglobal.jst.go.jp	http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J416.787B	enrich_references.pubchem_identifier_url
PubChem	https://pubchem.ncbi.nlm.nih.gov/compound/184292	enrich_references.pubchem_compound
Wikidata	https://www.wikidata.org/wiki/Q72495009	enrich_references.pubchem_identifier_url

Flow	Context	Source	Unit	CFs
79db2b23-6230-4fc4-b61e-04a0bd714b72	Environmental → Air → Aircraft cruise height	EF 3.1	kg	4
10aa264f-411f-432f-a790-f9da671f9db1	Environmental → Air → Ground level → Urban (>1000 people/square mile)	EF 3.1	kg	4
5a4369f0-8dd2-4d97-bcab-bb5abc3cddbd	Environmental → Air → Indoor	EF 3.1	kg	4
9ef8e3fa-e563-4f96-94ed-5b54a8e98fcc	Environmental → Air → Long-term	EF 3.1	kg	0
8bdfa261-21f6-4fc2-adc3-c370e2dfe955	Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile)	EF 3.1	kg	4
57cd9cb3-dd4b-4c3a-ace7-ae4507b28e9b	Environmental → Air → Unknown	EF 3.1	kg	4
cd2c71bd-e761-4fa0-be78-5a5219168825	Environmental → Ground → Agricultural	EF 3.1	kg	4
72941d91-c5f2-4b5b-99b1-930fcac50046	Environmental → Ground → Non-agricultural	EF 3.1	kg	4
d432fc84-e12d-4d1d-84b8-b7141f8b32d4	Environmental → Ground → Unknown	EF 3.1	kg	4
96141404-b89f-433c-a865-d8315f6cf3f2	Environmental → Water → Long-term	EF 3.1	kg	0
0797df82-6fba-415c-8319-76ba526f51d3	Environmental → Water → Ocean	EF 3.1	kg	4
958fd40f-09cf-4e4f-9768-7f1043fe51b4	Environmental → Water → Surface water	EF 3.1	kg	4
50cc95be-9ab2-4ede-ae8d-18167b5884c3	Environmental → Water → Unknown	EF 3.1	kg	4

Everything that changed this substance (55 changes)

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Flow object JSON

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4-(methylsulfonyl)-2-nitrobenzoic Acid

Identity

Structure

Alternative labels

Properties

Known URLs

Elementary flows

History

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