Structure & Deep Data of (4-Bromo-2,6-dimethylphenyl)boronic acid (C8H10BBrO2)

Chemical Structure Description

A chemical structure of a molecule includes the arrangement of atoms and the chemical bonds that hold the atoms together. The (4-Bromo-2,6-dimethylphenyl)boronic acid molecule contains a total of 22 bond(s). There are 12 non-H bond(s), 6 multiple bond(s), 1 rotatable bond(s), 6 aromatic bond(s), 1 six-membered ring(s), and 2 hydroxyl group(s). Images of the chemical structure of (4-Bromo-2,6-dimethylphenyl)boronic acid are given below:

The 2D chemical structure image of (4-Bromo-2,6-dimethylphenyl)boronic acid is also called skeletal formula, which is the standard notation for organic molecules. The carbon atoms in the chemical structure of (4-Bromo-2,6-dimethylphenyl)boronic acid are implied to be located at the corner(s) and hydrogen atoms attached to carbon atoms are not indicated – each carbon atom is considered to be associated with enough hydrogen atoms to provide the carbon atom with four bonds.

The 3D chemical structure image of (4-Bromo-2,6-dimethylphenyl)boronic acid is based on the ball-and-stick model which displays both the three-dimensional position of the atoms and the bonds between them. The radius of the spheres is therefore smaller than the rod lengths in order to provide a clearer view of the atoms and bonds throughout the chemical structure model of (4-Bromo-2,6-dimethylphenyl)boronic acid. Download structure data file (SDF/MOL) file of this compound.

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Additional Information for Identifying (4-Bromo-2,6-dimethylphenyl)boronic acid Molecule

• SMILES (Simplified Molecular-Input Line-Entry System) string of (4-Bromo-2,6-dimethylphenyl)boronic acid

  The SMILES string of (4-Bromo-2,6-dimethylphenyl)boronic acid is Cc1cc(Br)cc(C)c1B(O)O, which can be can be imported by most molecule editors for conversion back into two-dimensional drawings or three-dimensional models of the (4-Bromo-2,6-dimethylphenyl)boronic acid.

• Structure Data File (SDF/MOL File) of (4-Bromo-2,6-dimethylphenyl)boronic acid

  The structure data file (SDF/MOL File) of (4-Bromo-2,6-dimethylphenyl)boronic acid is available for download in the SDF page of (4-Bromo-2,6-dimethylphenyl)boronic acid, which provides the information about the atoms, bonds, connectivity and coordinates of (4-Bromo-2,6-dimethylphenyl)boronic acid. The (4-Bromo-2,6-dimethylphenyl)boronic acid structure data file can be imported to most of the cheminformatics software systems and applications.

• Chemical formula of (4-Bromo-2,6-dimethylphenyl)boronic acid

  The molecular formula of (4-Bromo-2,6-dimethylphenyl)boronic acid is available in chemical formula page of (4-Bromo-2,6-dimethylphenyl)boronic acid, which identifies each constituent element by its chemical symbol and indicates the proportionate number of atoms of each element.

• Molecular weight of (4-Bromo-2,6-dimethylphenyl)boronic acid

  The molecular weight of (4-Bromo-2,6-dimethylphenyl)boronic acid is available in molecular weight page of (4-Bromo-2,6-dimethylphenyl)boronic acid, which is calculated as the sum of the atomic weights of each constituent element multiplied by the number of atoms of that element in the molecular formula.

• Other names (synonyms) or registry numbers of (4-Bromo-2,6-dimethylphenyl)boronic acid

  The (4-Bromo-2,6-dimethylphenyl)boronic acid compound may be called differently depending on the various different situations of industrial applications. Below are the list of the other names (synonyms) of (4-Bromo-2,6-dimethylphenyl)boronic acid including the various registry numbers, if available:

  • Q-7465
  • Y3733
  • MFCD13181651
  • 4-bromo-2,6-dimethylphenylboronic acid
  • 1160561-24-9

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(4-Bromo-2,6-dimethylphenyl)boronic acid Identification Summary Frequently Asked Questions (FAQs)

What’s the chemical formula of (4-Bromo-2,6-dimethylphenyl)boronic acid?
C8H10BBrO2
How many atoms and what are the elements included the (4-Bromo-2,6-dimethylphenyl)boronic acid molecule?
22 atom(s) - 10 Hydrogen atom(s), 8 Carbon atom(s), 2 Oxygen atom(s), 1 Bromine atom(s), and 1 Boron atom(s)
How many chemical bonds and what kind of bonds are included the (4-Bromo-2,6-dimethylphenyl)boronic acid structure?
22 bond(s) - 12 non-H bond(s), 6 multiple bond(s), 1 rotatable bond(s), 6 aromatic bond(s), 1 six-membered ring(s), and 2 hydroxyl group(s)
What’s the (4-Bromo-2,6-dimethylphenyl)boronic acid’s molecular weight?
228.8788 g/mol
What’s the SMILES code of (4-Bromo-2,6-dimethylphenyl)boronic acid?
Cc1cc(Br)cc(C)c1B(O)O
What’s the InChI string of (4-Bromo-2,6-dimethylphenyl)boronic acid?
InChI=1S/C8H10BBrO2/c1-5-3-7(10)4-6(2)8(5)9(11)12/h3-4,11-12H,1-2H3
What’s the InChIKey code of (4-Bromo-2,6-dimethylphenyl)boronic acid?
OGYKUMRPICACAC-UHFFFAOYSA-N

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Source: Chemical Compounds Deep Data Source (CCDDS; https://www.molinstincts.com) based on 41 patented QSQN and QN technology
commercialized into Mol-Instincts database and ChemRTP, ChemEssen, Inc (2024).