Structure & Deep Data of (2R,3S)-1,2,3-trichlorobutane (C4H7Cl3)

Chemical Structure Description

A chemical structure of a molecule includes the arrangement of atoms and the chemical bonds that hold the atoms together. The (2R,3S)-1,2,3-trichlorobutane molecule contains a total of 13 bond(s). There are 6 non-H bond(s) and 1 rotatable bond(s). Images of the chemical structure of (2R,3S)-1,2,3-trichlorobutane are given below:

The 2D chemical structure image of (2R,3S)-1,2,3-trichlorobutane is also called skeletal formula, which is the standard notation for organic molecules. The carbon atoms in the chemical structure of (2R,3S)-1,2,3-trichlorobutane 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 (2R,3S)-1,2,3-trichlorobutane 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 (2R,3S)-1,2,3-trichlorobutane. Download structure data file (SDF/MOL) file of this compound.

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Additional Information for Identifying (2R,3S)-1,2,3-trichlorobutane Molecule

• SMILES (Simplified Molecular-Input Line-Entry System) string of (2R,3S)-1,2,3-trichlorobutane

  The SMILES string of (2R,3S)-1,2,3-trichlorobutane is CC(Cl)C(Cl)CCl, which can be can be imported by most molecule editors for conversion back into two-dimensional drawings or three-dimensional models of the (2R,3S)-1,2,3-trichlorobutane.

• Structure Data File (SDF/MOL File) of (2R,3S)-1,2,3-trichlorobutane

  The structure data file (SDF/MOL File) of (2R,3S)-1,2,3-trichlorobutane is available for download in the SDF page of (2R,3S)-1,2,3-trichlorobutane, which provides the information about the atoms, bonds, connectivity and coordinates of (2R,3S)-1,2,3-trichlorobutane. The (2R,3S)-1,2,3-trichlorobutane structure data file can be imported to most of the cheminformatics software systems and applications.

• Chemical formula of (2R,3S)-1,2,3-trichlorobutane

  The molecular formula of (2R,3S)-1,2,3-trichlorobutane is available in chemical formula page of (2R,3S)-1,2,3-trichlorobutane, which identifies each constituent element by its chemical symbol and indicates the proportionate number of atoms of each element.

• Molecular weight of (2R,3S)-1,2,3-trichlorobutane

  The molecular weight of (2R,3S)-1,2,3-trichlorobutane is available in molecular weight page of (2R,3S)-1,2,3-trichlorobutane, 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 (2R,3S)-1,2,3-trichlorobutane

  The (2R,3S)-1,2,3-trichlorobutane compound may be called differently depending on the various different situations of industrial applications. Below are the list of the other names (synonyms) of (2R,3S)-1,2,3-trichlorobutane including the various registry numbers, if available:

  
  
  None available.

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(2R,3S)-1,2,3-trichlorobutane Identification Summary Frequently Asked Questions (FAQs)

What’s the chemical formula of (2R,3S)-1,2,3-trichlorobutane?
C4H7Cl3
How many atoms and what are the elements included the (2R,3S)-1,2,3-trichlorobutane molecule?
14 atom(s) - 7 Hydrogen atom(s), 4 Carbon atom(s), and 3 Chlorine atom(s)
How many chemical bonds and what kind of bonds are included the (2R,3S)-1,2,3-trichlorobutane structure?
13 bond(s) - 6 non-H bond(s) and 1 rotatable bond(s)
What’s the (2R,3S)-1,2,3-trichlorobutane’s molecular weight?
161.45648 g/mol
What’s the SMILES code of (2R,3S)-1,2,3-trichlorobutane?
CC(Cl)C(Cl)CCl
What’s the InChI string of (2R,3S)-1,2,3-trichlorobutane?
InChI=1S/C4H7Cl3/c1-3(6)4(7)2-5/h3-4H,2H2,1H3/t3-,4+/m0/s1
What’s the InChIKey code of (2R,3S)-1,2,3-trichlorobutane?
RMZZAEDPBSKZOM-IUYQGCFVSA-N

195 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).