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Structure

[2-(Trifluoromethoxy)phenyl][4-(trifluoromethoxy)phenyl]methanone

CAS
98566-94-0
Catalog Number
ACM98566940
Category
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What is the molecular formula of the compound associated with PubChem CID 2781587?

The molecular formula is C15H8F6O3.

What is the molecular weight of the compound?

The molecular weight is 350.21 g/mol.

What is the IUPAC name of the compound?

The IUPAC name is [2-(trifluoromethoxy)phenyl]-[4-(trifluoromethoxy)phenyl]methanone.

What is the Canonical SMILES of the compound?

The Canonical SMILES is C1=CC=C(C(=C1)C(=O)C2=CC=C(C=C2)OC(F)(F)F)OC(F)(F)F.

How many hydrogen bond acceptor counts does the compound have?

The compound has 9 hydrogen bond acceptor counts.

What is the XLogP3-AA value of the compound?

The XLogP3-AA value is 5.6.

What is the topological polar surface area of the compound?

The topological polar surface area is 35.5 Ų.

How many rotatable bond counts does the compound have?

The compound has 4 rotatable bond counts.

Is the compound canonicalized?

Yes, the compound is canonicalized.

When was the compound created and last modified according to PubChem?

The compound was created on 2005-07-19 and last modified on 2023-12-30.

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