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Structure

3-Bromo-4-methylphenylboronic acid

CAS
1312765-69-7
Catalog Number
ACM1312765697
Category
Boronic Acids

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What is the molecular formula of 3-Bromo-4-methylphenylboronic acid according to the reference?

The molecular formula of 3-Bromo-4-methylphenylboronic acid is C7H8BBrO2.

What is the molecular weight of 3-Bromo-4-methylphenylboronic acid?

The molecular weight of 3-Bromo-4-methylphenylboronic acid is 214.85 g/mol.

When was 3-Bromo-4-methylphenylboronic acid created?

3-Bromo-4-methylphenylboronic acid was created on December 5, 2007.

What is the IUPAC name of 3-Bromo-4-methylphenylboronic acid?

The IUPAC name of 3-Bromo-4-methylphenylboronic acid is (3-bromo-4-methylphenyl)boronic acid.

What is the Canonical SMILES for 3-Bromo-4-methylphenylboronic acid?

The Canonical SMILES for 3-Bromo-4-methylphenylboronic acid is B(C1=CC(=C(C=C1)C)Br)(O)O.

What is the InChIKey of 3-Bromo-4-methylphenylboronic acid?

The InChIKey of 3-Bromo-4-methylphenylboronic acid is VBESRPDPCSIDEN-UHFFFAOYSA-N.

How many hydrogen bond donor counts does 3-Bromo-4-methylphenylboronic acid have?

3-Bromo-4-methylphenylboronic acid has 2 hydrogen bond donor counts.

What is the Topological Polar Surface Area of 3-Bromo-4-methylphenylboronic acid?

The Topological Polar Surface Area of 3-Bromo-4-methylphenylboronic acid is 40.5Ų.

Does 3-Bromo-4-methylphenylboronic acid have any defined atom stereocenter count?

No, 3-Bromo-4-methylphenylboronic acid does not have any defined atom stereocenter count.

Is the compound canonicalized for 3-Bromo-4-methylphenylboronic acid?

Yes, the compound is canonicalized for 3-Bromo-4-methylphenylboronic acid.

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