2-Chloro-5-(fluorosulfonyl)benzoic acid

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NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C7H4ClFO4S
Molecular Weight	238.621
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 2-Chloro-5-(fluorosulfonyl)benzoic acid

Structure Search

SMILES

OC(=O)C1=C(Cl)C=CC(=C1)S(F)(=O)=O

InChI

InChIKey=HXVUCIYXBTYQLK-UHFFFAOYSA-N

InChI=1S/C7H4ClFO4S/c8-6-2-1-4(14(9,12)13)3-5(6)7(10)11/h1-3H,(H,10,11)

HIDE SMILES / InChI

Molecular Formula	C7H4ClFO4S
Molecular Weight	238.621
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Approval Year

Substance Class	Chemical Created by `admin` on `Tue Apr 01 20:21:46 GMT 2025` Edited by `admin` on `Tue Apr 01 20:21:46 GMT 2025`
Record UNII	BC9AEF86JW
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

2-Chloro-5-(fluorosulfonyl)benzoic acid

Systematic Name

English

Benzoic acid, 2-chloro-5-(fluorosulfonyl)-

Preferred Name

English

Code System Code Type Description

FDA UNII

BC9AEF86JW

Created by admin on Tue Apr 01 20:21:46 GMT 2025 , Edited by admin on Tue Apr 01 20:21:46 GMT 2025

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ECHA (EC/EINECS)

244-338-9

Created by admin on Tue Apr 01 20:21:46 GMT 2025 , Edited by admin on Tue Apr 01 20:21:46 GMT 2025

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CAS

21346-66-7

Created by admin on Tue Apr 01 20:21:46 GMT 2025 , Edited by admin on Tue Apr 01 20:21:46 GMT 2025

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PUBCHEM

88873

Created by admin on Tue Apr 01 20:21:46 GMT 2025 , Edited by admin on Tue Apr 01 20:21:46 GMT 2025

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EPA CompTox

DTXSID90175615

Created by admin on Tue Apr 01 20:21:46 GMT 2025 , Edited by admin on Tue Apr 01 20:21:46 GMT 2025

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