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Structure

2-Bromo-1-cyclopropyl-2-(2-fluorophenyl)ethanone

CAS
204205-33-4
Catalog Number
ACM204205334
Category
Bromine Series

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What is the molecular formula of the compound with PubChem CID 23435871?

The molecular formula is C11H10BrFO.

What is the molecular weight of the compound?

The molecular weight is 257.10 g/mol.

What are some synonyms for the compound?

Some synonyms include 2-bromo-2-(2-fluorophenyl)-1-cyclopropylethanone and Ethanone, 2-bromo-1-cyclopropyl-2-(2-fluorophenyl)-.

What is the IUPAC name of the compound?

The IUPAC name is 2-bromo-1-cyclopropyl-2-(2-fluorophenyl)ethanone.

What are the InChI and InChIKey of the compound?

The InChI is InChI=1S/C11H10BrFO/c12-10(11(14)7-5-6-7)8-3-1-2-4-9(8)13/h1-4,7,10H,5-6H2.
The InChIKey is LMCZCCDXOZGIND-UHFFFAOYSA-N.

What is the Canonical SMILES of the compound?

The Canonical SMILES is C1CC1C(=O)C(C2=CC=CC=C2F)Br.

How many hydrogen bond acceptors does the compound have?

The compound has 2 hydrogen bond acceptors.

What is the topological polar surface area of the compound?

The topological polar surface area is 17.1Ų.

Is the compound canonicalized?

Yes, the compound is canonicalized.

What is the exact mass and monoisotopic mass of the compound?

The exact mass is 255.98991 g/mol, and the monoisotopic mass is also 255.98991 g/mol.

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