Structure

2-Trifluoromethylbenzylsulfonyl chloride

CAS
85952-32-5
Catalog Number
ACM85952325
Category
Other Products
Molecular Weight
258.65
Molecular Formula
C8H6ClF3O2S

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Specification

Synonyms
2-(METHANESULFONYL CHLORIDE)BENZOTRIFLUORIDE;2-TRIFLUOROMETHYLBENZYLSULFONYL CHLORIDE;(2-TRIFLUOROMETHYL-PHENYL)-METHANESULFONYL CHLORIDE;2-TRIFLUOROMETHYL-PHENYL-METHANSULFOCHLORIDE;2-(Trifluoromethyl)SulfonylChloride;2-Trifluoromethylben;2-(Methanesulfonyl chloride)benzotrifluoroide;[2-(Trifluoromethyl)phenyl]methylsulphonyl chloride, 2-[(Chlorosulphonyl)methyl]benzotrifluoride
Safety Description
26-36/37/39
What is the molecular formula of 2-Trifluoromethylbenzylsulfonyl chloride?

The molecular formula of 2-Trifluoromethylbenzylsulfonyl chloride is C8H6ClF3O2S.

What is the molecular weight of 2-Trifluoromethylbenzylsulfonyl chloride?

The molecular weight of 2-Trifluoromethylbenzylsulfonyl chloride is 258.65 g/mol.

What is the IUPAC name of 2-Trifluoromethylbenzylsulfonyl chloride?

The IUPAC name of 2-Trifluoromethylbenzylsulfonyl chloride is [2-(trifluoromethyl)phenyl]methanesulfonyl chloride.

What is the Canonical SMILES representation of 2-Trifluoromethylbenzylsulfonyl chloride?

The Canonical SMILES representation of 2-Trifluoromethylbenzylsulfonyl chloride is C1=CC=C(C(=C1)CS(=O)(=O)Cl)C(F)(F)F.

What is the InChIKey of 2-Trifluoromethylbenzylsulfonyl chloride?

The InChIKey of 2-Trifluoromethylbenzylsulfonyl chloride is RFFCAUGRAMHQSO-UHFFFAOYSA-N.

What is the XLogP3-AA value for 2-Trifluoromethylbenzylsulfonyl chloride?

The XLogP3-AA value for 2-Trifluoromethylbenzylsulfonyl chloride is 2.8.

How many hydrogen bond acceptor counts does 2-Trifluoromethylbenzylsulfonyl chloride have?

2-Trifluoromethylbenzylsulfonyl chloride has 5 hydrogen bond acceptor counts.

What is the topological polar surface area of 2-Trifluoromethylbenzylsulfonyl chloride?

The topological polar surface area of 2-Trifluoromethylbenzylsulfonyl chloride is 42.5 Å2.

Is 2-Trifluoromethylbenzylsulfonyl chloride a canonicalized compound?

Yes, 2-Trifluoromethylbenzylsulfonyl chloride is a canonicalized compound.

When was 2-Trifluoromethylbenzylsulfonyl chloride created and last modified in PubChem?

2-Trifluoromethylbenzylsulfonyl chloride was created on July 19, 2005, and last modified on December 30, 2023.

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