SDF/Mol File of 2,2'-Dimethylbiphenyl (C14H14)

Structure Data File (SDF/MOL File) Description

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Additional Information for Identifying 2,2'-Dimethylbiphenyl Molecule

• Chemical structure of 2,2'-Dimethylbiphenyl

  By visualizing the structure data file (SDF/MOL File) above, the chemical structure image of 2,2'-Dimethylbiphenyl is available in chemical structure page of 2,2'-Dimethylbiphenyl, which specifies the molecular geometry, i.e., the spatial arrangement of atoms and the chemical bonds that hold the atoms together.

• Molecular weight of 2,2'-Dimethylbiphenyl

  The molecular weight of 2,2'-Dimethylbiphenyl is available in molecular weight page of 2,2'-Dimethylbiphenyl, which is calculated as the sum of the atomic masses of each constituent element multiplied by the number of atoms of that element.

• Chemical formula of 2,2'-Dimethylbiphenyl

  The chemical formula of 2,2'-Dimethylbiphenyl is given in chemical formula page of 2,2'-Dimethylbiphenyl, which identifies each constituent element by its chemical symbol and indicates the proportionate number of atoms of each element.

• InChI (IUPAC International Chemical Identifier) information of 2,2'-Dimethylbiphenyl

  An alternative way of expressing structural information in text format is InChI. The full standard InChI of 2,2'-Dimethylbiphenyl is:

  InChI=1S/C14H14/c1-11-7-3-5-9-13(11)14-10-6-4-8-12(14)2/h3-10H,1-2H3

  It can provide a standard way to encode the molecular information of 2,2'-Dimethylbiphenyl to facilitate the search for the compound information in databases and on the web.

  The condensed, 27 character standard InChIKey (hashed version of the full standard InChI) of 2,2'-Dimethylbiphenyl is:

  InChIKey=ABMKWMASVFVTMD-UHFFFAOYSA-N

  The InChIKey may allow easier web searches for 2,2'-Dimethylbiphenyl, but it needs to be linked to the full InChI to get back to the original structure of the 2,2'-Dimethylbiphenyl since the full standard InChI cannot be reconstructed from the InChIKey.

• Other names (synonyms) or registry numbers of 2,2'-Dimethylbiphenyl

  The 2,2'-Dimethylbiphenyl compound may be named differently depending on the various situations of industrial applications. Other names (synonyms) of 2,2'-Dimethylbiphenyl including the registry numbers are listed below, if available:

  • 3B1-006597
  • I01-6323
  • A832769
  • 1,1'-Binaphthalene,2,2'-dimethyl-, (1S)-
  • D1717
  • ANW-33519
  • 1,1'-Biphenyl,2,2'-dimethyl-
  • 2,2'-Dimethylbiphenyl, 97%
  • [aR,(?)]-o,o'-Bitolyl
  • o,o'-Bitolyl (8CI)

  • 2,2'-Dimethyl biphenyl
  • o,o'-Bitoluene
  • bitoluene
  • MFCD00048075
  • 32587-64-7
  • 1-Methyl-2-(2'-methylphenyl)benzene
  • 2,2'-DIMETHYL-1,1'-BIPHENYL
  • 2,2'-Bitolyl
  • 2,2'-Ditolyl
  • o,o'-Bitolyl

  • 1,1'-Biphenyl, 2,2'-dimethyl-
  • 605-39-0
  • 2,2'-Dimethylbiphenyl

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2,2'-Dimethylbiphenyl Identification Summary Frequently Asked Questions (FAQs)

What’s the 2,2'-Dimethylbiphenyl formula?
C14H14
How many atoms and what elements are included in the 2,2'-Dimethylbiphenyl molecule?
28 atom(s) - 14 Hydrogen atom(s) and 14 Carbon atom(s)
How many chemical bonds and what kind of bonds are in the 2,2'-Dimethylbiphenyl structure?
29 bond(s) - 15 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'-Dimethylbiphenyl’s molar mass?
182.26096 g/mol
What’s the SMILES structure of 2,2'-Dimethylbiphenyl?
Cc1ccccc1c2ccccc2C
What’s the InChI code of 2,2'-Dimethylbiphenyl?
InChI=1S/C14H14/c1-11-7-3-5-9-13(11)14-10-6-4-8-12(14)2/h3-10H,1-2H3
What’s the InChIKey format of 2,2'-Dimethylbiphenyl?
ABMKWMASVFVTMD-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).