Download Structure Data File(SDF/Mol File) of 2-METHYLBIPHENYL (C13H12)

Identification of 2-METHYLBIPHENYL Chemical Compound

2D chemical structure image of 2-METHYLBIPHENYL
Chemical Formula C13H12
Molecular Weight 168.23438 g/mol
IUPAC Name 1-methyl-2-phenylbenzene
SMILES String Cc1ccccc1c2ccccc2
InChI InChI=1S/C13H12/c1-11-7-5-6-10-13(11)12-8-3-2-4-9-12/h2-10H,1H3
InChIKey ALLIZEAXNXSFGD-UHFFFAOYSA-N

Structure Data File (SDF/MOL File) Description

The structure data file (SDF/MOL File) of 2-METHYLBIPHENYL 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-METHYLBIPHENYL 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-METHYLBIPHENYL
Ball-and-stick model of 2-METHYLBIPHENYL

Additional Information for Identifying 2-METHYLBIPHENYL Molecule

  • Chemical structure of 2-METHYLBIPHENYL

    By visualizing the structure data file (SDF/MOL File) above, the chemical structure image of 2-METHYLBIPHENYL is available in chemical structure page of 2-METHYLBIPHENYL, 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-METHYLBIPHENYL

    The molecular weight of 2-METHYLBIPHENYL is available in molecular weight page of 2-METHYLBIPHENYL, 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-METHYLBIPHENYL

    The chemical formula of 2-METHYLBIPHENYL is given in chemical formula page of 2-METHYLBIPHENYL, 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-METHYLBIPHENYL

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

    InChI=1S/C13H12/c1-11-7-5-6-10-13(11)12-8-3-2-4-9-12/h2-10H,1H3

    It can provide a standard way to encode the molecular information of 2-METHYLBIPHENYL 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-METHYLBIPHENYL is:

    InChIKey=ALLIZEAXNXSFGD-UHFFFAOYSA-N

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

  • Other names (synonyms) or registry numbers of 2-METHYLBIPHENYL

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

    • 2-METHYLBIPHENYL
    • 643-58-3
    • 2-Methyl-1,1'-biphenyl
    • 1-Methyl-2-phenylbenzene
    • 2-Phenyltoluene
    • o-Phenyltoluene
    • o-Methylbiphenyl
    • Biphenyl, 2-methyl-
    • 1,1'-Biphenyl, 2-methyl-
    • 2-methyl biphenyl
    • 2-Methyl-biphenyl
    • 1-methyl-2-phenyl-benzene
    • W-104848
    • 648-53-3
    • methyl 1,1' biphenyl
    • 2-Phenyltoluene, 97%
    • Biphenyl, 2-methyl- (8CI)
    • X937MQ8S1T
    • ANW-34854
    • MFCD00008517
    • 1,1'-Biphenyl, 2-methyl- (9CI)
    • H220
    • M1242
    • A834729
    • C-36451
    • S01-0364
    • 3B1-007019

2-METHYLBIPHENYL Identification Summary Frequently Asked Questions (FAQs)

  • What’s the 2-METHYLBIPHENYL formula?

    C13H12
  • How many atoms and what elements are included in the 2-METHYLBIPHENYL molecule?

    25 atom(s) – 12 Hydrogen atom(s) and 13 Carbon atom(s)
  • How many chemical bonds and what kind of bonds are in the 2-METHYLBIPHENYL structure?

    26 bond(s) – 14 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-METHYLBIPHENYL’s molar mass?

    168.23438 g/mol
  • What’s the SMILES structure of 2-METHYLBIPHENYL?

    Cc1ccccc1c2ccccc2
  • What’s the InChI code of 2-METHYLBIPHENYL?

    InChI=1S/C13H12/c1-11-7-5-6-10-13(11)12-8-3-2-4-9-12/h2-10H,1H3
  • What’s the InChIKey format of 2-METHYLBIPHENYL?

    ALLIZEAXNXSFGD-UHFFFAOYSA-N

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Source: Mol-Instincts Chemical Database, Predicted on Quantum.
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