3-Bromo-beta-oxo-benzenepropanal sodium salt

Name: 3-Bromo-beta-oxo-benzenepropanal sodium salt
SKU: ACM933054296
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CAS

933054-29-6

Catalog Number

ACM933054296

Category

Other Products

Molecular Weight

249.04

Molecular Formula

C9H6BrNaO2

COA MSDS SDS Spec Sheet

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Specification

Synonyms

933054-29-6, CTK8F0245, 3-Bromo-|A-oxo-benzenepropanal Sodium Salt, 3-Bromo-beta-oxo-benzenepropanal Sodium Salt, FT-0663815

IUPAC Name

sodium;3-(3-bromophenyl)-3-oxopropanal

SMILES

C1=CC(=CC(=C1)Br)C(=O)[CH-]C=O.[Na+]

InChI Key

XOFCJRMCOCKIIH-UHFFFAOYSA-N

Exact Mass

247.94500

H-Bond Acceptor

H-Bond Donor

What is the molecular weight of 3-Bromo-beta-oxo-benzenepropanal sodium salt?

The molecular weight of 3-Bromo-beta-oxo-benzenepropanal sodium salt is 249.04 g/mol.

What is the IUPAC name of 3-Bromo-beta-oxo-benzenepropanal sodium salt?

The IUPAC name of 3-Bromo-beta-oxo-benzenepropanal sodium salt is sodium;3-(3-bromophenyl)-3-oxopropanal.

What is the InChI of 3-Bromo-beta-oxo-benzenepropanal sodium salt?

The InChI of 3-Bromo-beta-oxo-benzenepropanal sodium salt is InChI=1S/C9H6BrO2.Na/c10-8-3-1-2-7(6-8)9(12)4-5-11;/h1-6H;/q-1;+1.

What is the Canonical SMILES of 3-Bromo-beta-oxo-benzenepropanal sodium salt?

The Canonical SMILES of 3-Bromo-beta-oxo-benzenepropanal sodium salt is C1=CC(=CC(=C1)Br)C(=O)[CH-]C=O.[Na+].

What is the CAS number of 3-Bromo-beta-oxo-benzenepropanal sodium salt?

The CAS number of 3-Bromo-beta-oxo-benzenepropanal sodium salt is 933054-29-6.

How many hydrogen bond donor counts does 3-Bromo-beta-oxo-benzenepropanal sodium salt have?

3-Bromo-beta-oxo-benzenepropanal sodium salt has 0 hydrogen bond donor count.

How many hydrogen bond acceptor counts does 3-Bromo-beta-oxo-benzenepropanal sodium salt have?

3-Bromo-beta-oxo-benzenepropanal sodium salt has 3 hydrogen bond acceptor counts.

How many rotatable bond counts does 3-Bromo-beta-oxo-benzenepropanal sodium salt have?

3-Bromo-beta-oxo-benzenepropanal sodium salt has 3 rotatable bond counts.

What is the topological polar surface area of 3-Bromo-beta-oxo-benzenepropanal sodium salt?

The topological polar surface area of 3-Bromo-beta-oxo-benzenepropanal sodium salt is 34.1 Å².

How many heavy atom counts does 3-Bromo-beta-oxo-benzenepropanal sodium salt have?

3-Bromo-beta-oxo-benzenepropanal sodium salt has 13 heavy atom counts.

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