Structure

2-(4-Bromo-benzyl)-malonic acid

CAS
92013-18-8
Catalog Number
ACM92013188
Category
Other Products
Molecular Weight
273.08006
Molecular Formula
C10H9BrO4

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Specification

Synonyms
2-(4-BROMO-BENZYL)-MALONIC ACID
What is the molecular formula of 2-(4-Bromo-benzyl)-malonic acid?

The molecular formula is C10H9BrO4.

When was 2-(4-Bromo-benzyl)-malonic acid created and last modified?

It was created on 2007-02-08 and last modified on 2023-12-30.

What is the IUPAC Name of 2-(4-Bromo-benzyl)-malonic acid?

The IUPAC Name is 2-[(4-bromophenyl)methyl]propanedioic acid.

What is the InChIKey of 2-(4-Bromo-benzyl)-malonic acid?

The InChIKey is DIBILFWSEHZMDI-UHFFFAOYSA-N.

What is the Canonical SMILES for 2-(4-Bromo-benzyl)-malonic acid?

The Canonical SMILES is C1=CC(=CC=C1CC(C(=O)O)C(=O)O)Br.

What is the molecular weight of 2-(4-Bromo-benzyl)-malonic acid?

The molecular weight is 273.08 g/mol.

How many hydrogen bond donor counts does 2-(4-Bromo-benzyl)-malonic acid have?

It has 2 hydrogen bond donor counts.

What is the exact mass of 2-(4-Bromo-benzyl)-malonic acid?

The exact mass is 271.96842 g/mol.

What is the topological polar surface area of 2-(4-Bromo-benzyl)-malonic acid?

The topological polar surface area is 74.6 Ų.

Is 2-(4-Bromo-benzyl)-malonic acid a canonicalized compound?

Yes, the compound is canonicalized.

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