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3-Bromo-5-(trifluoromethoxy)benzoic acid

Catalog Number
ACMA00002811
Category
Ethers
Molecular Weight
285.01
Molecular Formula
C9H19NO3

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Specification

Hazard Statements
H315-H319-H335-H351
RIDADR
UN 2810 6.1 / PGIII
Symbol
GHS07
What is the molecular formula of 3-Bromo-5-(trifluoromethoxy)benzoic acid?

The molecular formula is C8H4BrF3O3.

What is the molecular weight of 3-Bromo-5-(trifluoromethoxy)benzoic acid?

The molecular weight is 285.01 g/mol.

What is the IUPAC name of 3-Bromo-5-(trifluoromethoxy)benzoic acid?

The IUPAC name is 3-bromo-5-(trifluoromethoxy)benzoic acid.

What is the InChI of 3-Bromo-5-(trifluoromethoxy)benzoic acid?

The InChI is InChI=1S/C8H4BrF3O3/c9-5-1-4(7(13)14)2-6(3-5)15-8(10,11)12/h1-3H,(H,13,14).

What is the Canonical SMILES of 3-Bromo-5-(trifluoromethoxy)benzoic acid?

The Canonical SMILES is C1=C(C=C(C=C1OC(F)(F)F)Br)C(=O)O.

What is the CAS number of 3-Bromo-5-(trifluoromethoxy)benzoic acid?

The CAS number is 453565-90-7.

What is the European Community (EC) Number of 3-Bromo-5-(trifluoromethoxy)benzoic acid?

The European Community (EC) Number is 630-036-8.

How many hydrogen bond donor counts are there in 3-Bromo-5-(trifluoromethoxy)benzoic acid?

There is 1 hydrogen bond donor count.

What is the topological polar surface area of 3-Bromo-5-(trifluoromethoxy)benzoic acid?

The topological polar surface area is 46.5Ų.

Is 3-Bromo-5-(trifluoromethoxy)benzoic acid a canonicalized compound?

Yes, it is a canonicalized compound.

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