Structure & Deep Data of 2,2',3,4',5,5'-HEXACHLOROBIPHENYL (C12H4Cl6)

Chemical Structure Description

A chemical structure of a molecule includes the arrangement of atoms and the chemical bonds that hold the atoms together. The 2,2',3,4',5,5'-HEXACHLOROBIPHENYL molecule contains a total of 23 bond(s). There are 19 non-H bond(s), 12 multiple bond(s), 1 rotatable bond(s), 12 aromatic bond(s), and 2 six-membered ring(s). Images of the chemical structure of 2,2',3,4',5,5'-HEXACHLOROBIPHENYL are given below:

The 2D chemical structure image of 2,2',3,4',5,5'-HEXACHLOROBIPHENYL is also called skeletal formula, which is the standard notation for organic molecules. The carbon atoms in the chemical structure of 2,2',3,4',5,5'-HEXACHLOROBIPHENYL 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 2,2',3,4',5,5'-HEXACHLOROBIPHENYL 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 2,2',3,4',5,5'-HEXACHLOROBIPHENYL. Download structure data file (SDF/MOL) file of this compound.

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Additional Information for Identifying 2,2',3,4',5,5'-HEXACHLOROBIPHENYL Molecule

• SMILES (Simplified Molecular-Input Line-Entry System) string of 2,2',3,4',5,5'-HEXACHLOROBIPHENYL

  The SMILES string of 2,2',3,4',5,5'-HEXACHLOROBIPHENYL is Clc1cc(Cl)c(Cl)c(c1)c2cc(Cl)c(Cl)cc2Cl, which can be can be imported by most molecule editors for conversion back into two-dimensional drawings or three-dimensional models of the 2,2',3,4',5,5'-HEXACHLOROBIPHENYL.

• Structure Data File (SDF/MOL File) of 2,2',3,4',5,5'-HEXACHLOROBIPHENYL

  The structure data file (SDF/MOL File) of 2,2',3,4',5,5'-HEXACHLOROBIPHENYL is available for download in the SDF page of 2,2',3,4',5,5'-HEXACHLOROBIPHENYL, which provides the information about the atoms, bonds, connectivity and coordinates of 2,2',3,4',5,5'-HEXACHLOROBIPHENYL. The 2,2',3,4',5,5'-HEXACHLOROBIPHENYL structure data file can be imported to most of the cheminformatics software systems and applications.

• Chemical formula of 2,2',3,4',5,5'-HEXACHLOROBIPHENYL

  The molecular formula of 2,2',3,4',5,5'-HEXACHLOROBIPHENYL is available in chemical formula page of 2,2',3,4',5,5'-HEXACHLOROBIPHENYL, which identifies each constituent element by its chemical symbol and indicates the proportionate number of atoms of each element.

• Molecular weight of 2,2',3,4',5,5'-HEXACHLOROBIPHENYL

  The molecular weight of 2,2',3,4',5,5'-HEXACHLOROBIPHENYL is available in molecular weight page of 2,2',3,4',5,5'-HEXACHLOROBIPHENYL, 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 2,2',3,4',5,5'-HEXACHLOROBIPHENYL

  The 2,2',3,4',5,5'-HEXACHLOROBIPHENYL compound may be called differently depending on the various different situations of industrial applications. Below are the list of the other names (synonyms) of 2,2',3,4',5,5'-HEXACHLOROBIPHENYL including the various registry numbers, if available:

  • 2,2',3,4',5,5'-Hexachloro-1,1'-biphenyl #
  • 1,2,4-trichloro-5-(2,3,5-trichlorophenyl)benzene
  • C-42317
  • PCB-146
  • PCB 146
  • 8EZ9BWE16M
  • 2,2',3,4',5,5'-Hexachloro-1,1'-biphenyl
  • 1,1'-Biphenyl, 2,2',3,4',5,5'-hexachloro-
  • 51908-16-8
  • 2,2',3,4',5,5'-HEXACHLOROBIPHENYL

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2,2',3,4',5,5'-HEXACHLOROBIPHENYL Identification Summary Frequently Asked Questions (FAQs)

What’s the chemical formula of 2,2',3,4',5,5'-HEXACHLOROBIPHENYL?
C12H4Cl6
How many atoms and what are the elements included the 2,2',3,4',5,5'-HEXACHLOROBIPHENYL molecule?
22 atom(s) - 4 Hydrogen atom(s), 12 Carbon atom(s), and 6 Chlorine atom(s)
How many chemical bonds and what kind of bonds are included the 2,2',3,4',5,5'-HEXACHLOROBIPHENYL structure?
23 bond(s) - 19 non-H bond(s), 12 multiple bond(s), 1 rotatable bond(s), 12 aromatic bond(s), and 2 six-membered ring(s)
What’s the 2,2',3,4',5,5'-HEXACHLOROBIPHENYL’s molecular weight?
360.87636 g/mol
What’s the SMILES code of 2,2',3,4',5,5'-HEXACHLOROBIPHENYL?
Clc1cc(Cl)c(Cl)c(c1)c2cc(Cl)c(Cl)cc2Cl
What’s the InChI string of 2,2',3,4',5,5'-HEXACHLOROBIPHENYL?
InChI=1S/C12H4Cl6/c13-5-1-7(12(18)11(17)2-5)6-3-9(15)10(16)4-8(6)14/h1-4H
What’s the InChIKey code of 2,2',3,4',5,5'-HEXACHLOROBIPHENYL?
BQHCQAQLTCQFJZ-UHFFFAOYSA-N

20 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).