3-(Chlorosulfonyl)benzoyl chloride

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NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C7H4Cl2O3S
Molecular Weight	239.076
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 3-(Chlorosulfonyl)benzoyl chloride

Structure Search

SMILES

ClC(=O)C1=CC(=CC=C1)S(Cl)(=O)=O

InChI

InChIKey=XWEBTVZIZWEJOO-UHFFFAOYSA-N

InChI=1S/C7H4Cl2O3S/c8-7(10)5-2-1-3-6(4-5)13(9,11)12/h1-4H

HIDE SMILES / InChI

Molecular Formula	C7H4Cl2O3S
Molecular Weight	239.076
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 `Sat Dec 16 12:22:12 GMT 2023` Edited by `admin` on `Sat Dec 16 12:22:12 GMT 2023`
Record UNII	5HD5WYV4DA
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

3-(Chlorosulfonyl)benzoyl chloride

Systematic Name

English

Benzoyl chloride, 3-(chlorosulfonyl)-

Systematic Name

English

Code System Code Type Description

FDA UNII

5HD5WYV4DA

Created by admin on Sat Dec 16 12:22:12 GMT 2023 , Edited by admin on Sat Dec 16 12:22:12 GMT 2023

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PUBCHEM

77671

Created by admin on Sat Dec 16 12:22:12 GMT 2023 , Edited by admin on Sat Dec 16 12:22:12 GMT 2023

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EPA CompTox

DTXSID6063278

Created by admin on Sat Dec 16 12:22:12 GMT 2023 , Edited by admin on Sat Dec 16 12:22:12 GMT 2023

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ECHA (EC/EINECS)

223-759-1

Created by admin on Sat Dec 16 12:22:12 GMT 2023 , Edited by admin on Sat Dec 16 12:22:12 GMT 2023

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CAS

4052-92-0

Created by admin on Sat Dec 16 12:22:12 GMT 2023 , Edited by admin on Sat Dec 16 12:22:12 GMT 2023

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