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SDF/Mol File of Biphenyl (C12H10)

Identification of Biphenyl Chemical Compound

2D chemical structure image of Biphenyl
Chemical Formula C12H10
Molecular Weight 154.2078 g/mol
IUPAC Name phenylbenzene
SMILES String c1ccc(cc1)c2ccccc2
InChI InChI=1S/C12H10/c1-3-7-11(8-4-1)12-9-5-2-6-10-12/h1-10H
InChIKey ZUOUZKKEUPVFJK-UHFFFAOYSA-N

Structure Data File (SDF/MOL File) Description

The structure data file (SDF/MOL File) of Biphenyl 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 Biphenyl 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.

3D chemical structure image of Biphenyl
Ball-and-stick model of Biphenyl

chemical table area

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Enter another compound to search for SDF·MOL file:

Input a chemical compound consisting of C, H, N, O, S, F, Cl, Br, I, Si, P, and/or As atom(s)

Input example for Ethanol:

  • Name: ethanol
  • CAS #: 64-17-5
  • Formula: C2H5OH
  • Smiles: CCO
  • InChI: InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3
  • InChIKey: LFQSCWFLJHTTHZ-UHFFFAOYSA-N

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Additional Information for Identifying Biphenyl Molecule

  • Chemical structure of Biphenyl

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

  • Molecular weight of Biphenyl

    The molecular weight of Biphenyl is available in molecular weight page of Biphenyl, 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 Biphenyl

    The chemical formula of Biphenyl is given in chemical formula page of Biphenyl, 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 Biphenyl

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

    InChI=1S/C12H10/c1-3-7-11(8-4-1)12-9-5-2-6-10-12/h1-10H

    It can provide a standard way to encode the molecular information of Biphenyl 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 Biphenyl is:

    InChIKey=ZUOUZKKEUPVFJK-UHFFFAOYSA-N

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

  • Other names (synonyms) or registry numbers of Biphenyl

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

    • BBV-76025089
    • AR-1H9858
    • 72931-46-5
    • 56481-93-7
    • Biphenyl, United States Pharmacopeia (USP) Reference Standard
    • F9995-1632
    • Biphenyl, certified reference material, TraceCERT(R)
    • W-100283
    • I14-6946
    • BIPHENYL-RICH AROMATIC HYDROCARBONS COMPLEX
    • Biphenyl, PESTANAL(R), analytical standard
    • B0465
    • B0224
    • Biphenyl, Vetec(TM) reagent grade, 99%
    • RTC-030794
    • Biphenyl, ReagentPlus(R), 99.5%
    • BDBM50168002
    • ANW-75565
    • BIDD:ER0669
    • Biphenyl, analytical standard
    • [1,1'-biphenyl]-2-yl
    • Butenylated 1,1'-biphenyl
    • bmse000506
    • 2L9GJK6MGN
    • Biphenyl, >=99%
    • 1,1''-biphenyl
    • 4,4'-biphenyl
    • Biphenyl rich aromatic hydrocarbons
    • Distilled hydrodealkylized toluene
    • bi-phenyl
    • meta biphenyl
    • Biphenyl, 1,1-
    • 1,1-Biphenyl
    • BNL
    • CAS-92-52-4
    • 68409-73-4
    • E230
    • MFCD00003054
    • EPA Pesticide Chemical Code 017002
    • CP 390
    • Aromatic hydrocarbons, biphenyl-rich
    • MCS 1572
    • FEMA No. 3129
    • Biphenyl [BSI:ISO]
    • Caswell No. 087
    • PHPH
    • Carolid AL
    • Tetrosin LY
    • Phenador-X
    • Xenene
    • 1,1'-Diphenyl
    • Lemonene
    • Bibenzene
    • DIPHENYL
    • 92-52-4
    • 1,1'-Biphenyl
    • Biphenyl

Biphenyl Identification Summary Frequently Asked Questions (FAQs)

What’s the Biphenyl formula?
C12H10
How many atoms and what elements are included in the Biphenyl molecule?
22 atom(s) - 10 Hydrogen atom(s) and 12 Carbon atom(s)
How many chemical bonds and what kind of bonds are in the Biphenyl structure?
23 bond(s) - 13 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 Biphenyl’s molar mass?
154.2078 g/mol
What’s the SMILES structure of Biphenyl?
c1ccc(cc1)c2ccccc2
What’s the InChI code of Biphenyl?
InChI=1S/C12H10/c1-3-7-11(8-4-1)12-9-5-2-6-10-12/h1-10H
What’s the InChIKey format of Biphenyl?
ZUOUZKKEUPVFJK-UHFFFAOYSA-N

1137 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).

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