2-chloro-3-methyl-4-(methylsulfonyl) Benzoic Acid

2-Chloro-3-methyl-4-(methylsulfonyl)benzoic acid
2-Chloro-3-methyl-4-methanesulfonyl benzoic acid
2-Chloro-3-methyl-4-methylsulfonylbenzoic acid
2-Chloro-4-methanesulfonyl-3-methylbenzoic acid
Benzoic acid, 2-chloro-3-methyl-4-(methylsulfonyl)-

Property	Value
InChI2D key string chemrof:inchi2d_key_string	RRFGGUXLGOVPOP-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string	InChI=1S/C9H9ClO4S/c1-5-7(15(2,13)14)4-3-6(8(5)10)9(11)12/h3-4H,1-2H3,(H,11,12)
IUPAC name chemrof:IUPAC_name	2-chloro-3-methyl-4-(methylsulfonyl) Benzoic Acid
Molecular formula chemrof:molecular_formula	C9H9ClO4S
Molecular mass chemrof:molecular_mass	248.687
Monoisotopic mass chemrof:monoisotopic_mass	247.991007
SMILES string chemrof:smiles_string	Cc1c(S(C)(=O)=O)ccc(C(=O)O)c1Cl

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=106904-09-0	enrich_references.pubchem_identifier_url
chem.echa.europa.eu	https://chem.echa.europa.eu/100.109.138	enrich_references.pubchem_identifier_url
comptox.epa.gov	https://comptox.epa.gov/dashboard/DTXSID70558068	enrich_references.pubchem_identifier_url
PubChem	https://pubchem.ncbi.nlm.nih.gov/compound/14254476	enrich_references.pubchem_compound
Wikidata	https://www.wikidata.org/wiki/Q72454325	enrich_references.pubchem_identifier_url

Flow	Context	Source	Unit	CFs
4d8a3345-51fd-44ac-87e0-59bc8d3b0fdc	Environmental → Air → Aircraft cruise height	EF 3.1	kg	2
d150092a-7ba0-4677-8e17-0e972fd2d1b5	Environmental → Air → Ground level → Urban (>1000 people/square mile)	EF 3.1	kg	2
d93dec20-809a-4105-a3d5-02d2f015d1df	Environmental → Air → Indoor	EF 3.1	kg	2
450b075f-1333-4a65-bbb4-fc033e05ab63	Environmental → Air → Long-term	EF 3.1	kg	0
5e4aeff2-9d2d-423f-bf49-6eee6a5960ca	Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile)	EF 3.1	kg	2
67d73317-2e46-4668-b759-1b0c820cb505	Environmental → Air → Unknown	EF 3.1	kg	2
fee45c34-4e2f-4b7a-b1b7-a494a9e11863	Environmental → Ground → Agricultural	EF 3.1	kg	2
a0848b9e-6cf9-4f5e-86b0-bcfa58a984b3	Environmental → Ground → Non-agricultural	EF 3.1	kg	2
e6bb752e-ff92-46f3-b204-8c7bb7ba3b08	Environmental → Ground → Unknown	EF 3.1	kg	2
8517a7a1-3944-4b54-946f-f4762ae0e370	Environmental → Water → Long-term	EF 3.1	kg	0
1f68d76d-5591-47df-be32-37f26eb31431	Environmental → Water → Ocean	EF 3.1	kg	2
58f7073c-ac55-4f42-bd07-14b686eb9a67	Environmental → Water → Surface water	EF 3.1	kg	2
092121fc-20ba-4be2-8e4e-f827f47f3c1b	Environmental → Water → Unknown	EF 3.1	kg	2

Everything that changed this substance (54 changes)

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Flow object JSON

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2-chloro-3-methyl-4-(methylsulfonyl) Benzoic Acid

Identity

Structure

Alternative labels

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