Structure & Deep Data of 3,4,5,6-Tetrafluorophthalic acid (C8H2F4O4)

Chemical Structure Description

A chemical structure of a molecule includes the arrangement of atoms and the chemical bonds that hold the atoms together. The 3,4,5,6-Tetrafluorophthalic acid molecule contains a total of 18 bond(s). There are 16 non-H bond(s), 8 multiple bond(s), 2 rotatable bond(s), 2 double bond(s), 6 aromatic bond(s), 1 six-membered ring(s), 2 carboxylic acid(s) (aromatic), and 2 hydroxyl group(s). Images of the chemical structure of 3,4,5,6-Tetrafluorophthalic acid are given below:

The 2D chemical structure image of 3,4,5,6-Tetrafluorophthalic acid is also called skeletal formula, which is the standard notation for organic molecules. The carbon atoms in the chemical structure of 3,4,5,6-Tetrafluorophthalic 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 3,4,5,6-Tetrafluorophthalic 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 3,4,5,6-Tetrafluorophthalic acid. Download structure data file (SDF/MOL) file of this compound.

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Additional Information for Identifying 3,4,5,6-Tetrafluorophthalic acid Molecule

• SMILES (Simplified Molecular-Input Line-Entry System) string of 3,4,5,6-Tetrafluorophthalic acid

  The SMILES string of 3,4,5,6-Tetrafluorophthalic acid is OC(=O)c1c(F)c(F)c(F)c(F)c1C(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 3,4,5,6-Tetrafluorophthalic acid.

• Structure Data File (SDF/MOL File) of 3,4,5,6-Tetrafluorophthalic acid

  The structure data file (SDF/MOL File) of 3,4,5,6-Tetrafluorophthalic acid is available for download in the SDF page of 3,4,5,6-Tetrafluorophthalic acid, which provides the information about the atoms, bonds, connectivity and coordinates of 3,4,5,6-Tetrafluorophthalic acid. The 3,4,5,6-Tetrafluorophthalic acid structure data file can be imported to most of the cheminformatics software systems and applications.

• Chemical formula of 3,4,5,6-Tetrafluorophthalic acid

  The molecular formula of 3,4,5,6-Tetrafluorophthalic acid is available in chemical formula page of 3,4,5,6-Tetrafluorophthalic acid, which identifies each constituent element by its chemical symbol and indicates the proportionate number of atoms of each element.

• Molecular weight of 3,4,5,6-Tetrafluorophthalic acid

  The molecular weight of 3,4,5,6-Tetrafluorophthalic acid is available in molecular weight page of 3,4,5,6-Tetrafluorophthalic 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 3,4,5,6-Tetrafluorophthalic acid

  The 3,4,5,6-Tetrafluorophthalic 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 3,4,5,6-Tetrafluorophthalic acid including the various registry numbers, if available:

  • AR-1E8884
  • F0293-0069
  • 1,2-Benzenedicarboxylicacid, 3,4,5,6-tetrafluoro-
  • C-14152
  • C-4543
  • A19944
  • T0986
  • RTR-022217
  • CCG-244234
  • MFCD00002407

  • ANW-35004
  • ZX-AP004207
  • HMS1414N21
  • TIMTEC-BB SBB037918
  • RARECHEM AL BO 0016
  • Tetrafluorophthalic acid, 98%
  • Tetrafluorophthalic acid, 90%
  • 3,4,5,6-TETRAFLUORO-1,2-BENZENEDICARBOXYLIC ACID
  • W-104804
  • tetrafluorobenzene-1,2-dicarboxylic acid

  • 3,4,5,6-tetrafluoro-phthalic acid
  • 2,3,4,5-tetrafluoro-phthalic acid
  • 2,3,4,5-tetrafluorophthalic acid
  • 3,4,5,6-Tetrafluorophthalic
  • 1,2-Benzenedicarboxylic acid, 3,4,5,6-tetrafluoro-
  • 652-03-9
  • Tetrafluorophthalic acid
  • 3,4,5,6-Tetrafluorophthalic acid

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3,4,5,6-Tetrafluorophthalic acid Identification Summary Frequently Asked Questions (FAQs)

What’s the chemical formula of 3,4,5,6-Tetrafluorophthalic acid?
C8H2F4O4
How many atoms and what are the elements included the 3,4,5,6-Tetrafluorophthalic acid molecule?
18 atom(s) - 2 Hydrogen atom(s), 8 Carbon atom(s), 4 Oxygen atom(s), and 4 Fluorine atom(s)
How many chemical bonds and what kind of bonds are included the 3,4,5,6-Tetrafluorophthalic acid structure?
18 bond(s) - 16 non-H bond(s), 8 multiple bond(s), 2 rotatable bond(s), 2 double bond(s), 6 aromatic bond(s), 1 six-membered ring(s), 2 carboxylic acid(s) (aromatic), and 2 hydroxyl group(s)
What’s the 3,4,5,6-Tetrafluorophthalic acid’s molecular weight?
238.09269 g/mol
What’s the SMILES code of 3,4,5,6-Tetrafluorophthalic acid?
OC(=O)c1c(F)c(F)c(F)c(F)c1C(O)=O
What’s the InChI string of 3,4,5,6-Tetrafluorophthalic acid?
InChI=1S/C8H2F4O4/c9-3-1(7(13)14)2(8(15)16)4(10)6(12)5(3)11/h(H,13,14)(H,15,16)
What’s the InChIKey code of 3,4,5,6-Tetrafluorophthalic acid?
YJLVXRPNNDKMMO-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).