Structure

2-(Trifluoromethoxy)benzyl bromide

CAS
198649-68-2
Catalog Number
ACM198649682
Category
Bromine Series

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What is the molecular formula of 2-(Trifluoromethoxy)benzyl bromide?

The molecular formula is C8H6BrF3O.

What is the molecular weight of 2-(Trifluoromethoxy)benzyl bromide?

The molecular weight is 255.03 g/mol.

What is the IUPAC name of 2-(Trifluoromethoxy)benzyl bromide?

The IUPAC name is 1-(bromomethyl)-2-(trifluoromethoxy)benzene.

What is the InChI of 2-(Trifluoromethoxy)benzyl bromide?

The InChI is InChI=1S/C8H6BrF3O/c9-5-6-3-1-2-4-7(6)13-8(10,11)12/h1-4H,5H2.

What is the InChIKey of 2-(Trifluoromethoxy)benzyl bromide?

The InChIKey is TUNSVUOTVLWNQT-UHFFFAOYSA-N.

What is the canonical SMILES of 2-(Trifluoromethoxy)benzyl bromide?

The canonical SMILES is C1=CC=C(C(=C1)CBr)OC(F)(F)F.

What is the CAS number of 2-(Trifluoromethoxy)benzyl bromide?

The CAS number is 198649-68-2.

What is the EC number of 2-(Trifluoromethoxy)benzyl bromide?

The EC number is 642-461-6.

What is the DSSTox Substance ID of 2-(Trifluoromethoxy)benzyl bromide?

The DSSTox Substance ID is DTXSID80380438.

Is 2-(Trifluoromethoxy)benzyl bromide a canonicalized compound?

Yes, it is canonicalized.

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