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

Identification of 2,2'-Dimethylbiphenyl Chemical Compound

2D chemical structure image of 2,2'-Dimethylbiphenyl
Chemical Formula C14H14
Molecular Weight 182.26096 g/mol
IUPAC Name 1-methyl-2-(2-methylphenyl)benzene
SMILES String Cc1ccccc1c2ccccc2C
InChI InChI=1S/C14H14/c1-11-7-3-5-9-13(11)14-10-6-4-8-12(14)2/h3-10H,1-2H3
InChIKey ABMKWMASVFVTMD-UHFFFAOYSA-N

Structure Data File (SDF/MOL File) Description

The structure data file (SDF/MOL File) of 2,2'-Dimethylbiphenyl is available for download. Click the link below to start downloading.

Download structure data file (SDF/MOL File)

The structure data file (SDF/MOL File) contains the information about the atoms, bonds, connectivity and coordinates of 2,2'-Dimethylbiphenyl molecule. It starts with a header block, followed by "connection table“, which describes the structural relationships and properties of the atoms.

The structure data file (SDF/MOL File) available above can be imported to most of the chemistry-related software packages, performing further scientific analysis. Most of the computational software and visualization program require the structural information of the target molecule, and the above structure data file (SDF/MOL File) can be a good option.

Ball-and-stick model of 2,2'-Dimethylbiphenyl
Ball-and-stick model of 2,2'-Dimethylbiphenyl

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:

    • 2,2'-Dimethylbiphenyl
    • 605-39-0
    • 1,1'-Biphenyl, 2,2'-dimethyl-
    • o,o'-Bitolyl
    • 2,2'-Ditolyl
    • 1-methyl-2-(2-methylphenyl)benzene
    • 2,2'-Bitolyl
    • 2,2'-DIMETHYL-1,1'-BIPHENYL
    • 1-Methyl-2-(2'-methylphenyl)benzene
    • 32587-64-7
    • MFCD00048075
    • bitoluene
    • o,o'-Bitoluene
    • 2,2'-Dimethyl biphenyl
    • o,o'-Bitolyl (8CI)
    • [aR,(?)]-o,o'-Bitolyl
    • 2,2'-Dimethylbiphenyl, 97%
    • 1,1'-Biphenyl,2,2'-dimethyl-
    • ANW-33519
    • D1717
    • 1,1'-Binaphthalene,2,2'-dimethyl-, (1S)-
    • A832769
    • I01-6323
    • 3B1-006597

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: Mol-Instincts Chemical Database, Predicted on Quantum.
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