Structure & Deep Data of Trichloromethyl borate (C3H6BCl3O3)

Chemical Structure Description

A chemical structure of a molecule includes the arrangement of atoms and the chemical bonds that hold the atoms together. The trichloromethyl borate molecule contains a total of 15 bond(s). There are 9 non-H bond(s) and 3 rotatable bond(s). Images of the chemical structure of trichloromethyl borate are given below:

The 2D chemical structure image of trichloromethyl borate is also called skeletal formula, which is the standard notation for organic molecules. The carbon atoms in the chemical structure of trichloromethyl borate 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 trichloromethyl borate 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 trichloromethyl borate. Download structure data file (SDF/MOL) file of this compound.

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Additional Information for Identifying Trichloromethyl borate Molecule

• SMILES (Simplified Molecular-Input Line-Entry System) string of trichloromethyl borate

  The SMILES string of trichloromethyl borate is ClCOB(OCCl)OCCl, which can be can be imported by most molecule editors for conversion back into two-dimensional drawings or three-dimensional models of the trichloromethyl borate.

• Structure Data File (SDF/MOL File) of trichloromethyl borate

  The structure data file (SDF/MOL File) of trichloromethyl borate is available for download in the SDF page of trichloromethyl borate, which provides the information about the atoms, bonds, connectivity and coordinates of trichloromethyl borate. The trichloromethyl borate structure data file can be imported to most of the cheminformatics software systems and applications.

• Chemical formula of trichloromethyl borate

  The molecular formula of trichloromethyl borate is available in chemical formula page of trichloromethyl borate, which identifies each constituent element by its chemical symbol and indicates the proportionate number of atoms of each element.

• Molecular weight of trichloromethyl borate

  The molecular weight of trichloromethyl borate is available in molecular weight page of trichloromethyl borate, 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 trichloromethyl borate

  The trichloromethyl borate compound may be called differently depending on the various different situations of industrial applications. Below are the list of the other names (synonyms) of trichloromethyl borate including the various registry numbers, if available:

  
  
  None available.

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Trichloromethyl borate Identification Summary Frequently Asked Questions (FAQs)

What’s the chemical formula of trichloromethyl borate?
C3H6BCl3O3
How many atoms and what are the elements included the trichloromethyl borate molecule?
16 atom(s) - 6 Hydrogen atom(s), 3 Carbon atom(s), 3 Oxygen atom(s), 3 Chlorine atom(s), and 1 Boron atom(s)
How many chemical bonds and what kind of bonds are included the trichloromethyl borate structure?
15 bond(s) - 9 non-H bond(s) and 3 rotatable bond(s)
What’s the trichloromethyl borate’s molecular weight?
207.24794 g/mol
What’s the SMILES code of trichloromethyl borate?
ClCOB(OCCl)OCCl
What’s the InChI string of trichloromethyl borate?
InChI=1S/C3H6BCl3O3/c5-1-8-4(9-2-6)10-3-7/h1-3H2
What’s the InChIKey code of trichloromethyl borate?
CBBKUQKAGGOKMB-UHFFFAOYSA-N

10 The contents of this page can freely be shared if cited as follows:
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).