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Formula of 4-Biphenylyl benzoate (C19H14O2)

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2D chemical structure image of 4-Biphenylyl benzoate
Chemical Formula C19H14O2
Molecular Weight 274.31326 g/mol
IUPAC Name 4-phenylphenyl benzoate
SMILES String O=C(Oc1ccc(cc1)c2ccccc2)c3ccccc3
InChI InChI=1S/C19H14O2/c20-19(17-9-5-2-6-10-17)21-18-13-11-16(12-14-18)15-7-3-1-4-8-15/h1-14H
InChIKey CINHWMYRCOGYIX-UHFFFAOYSA-N
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Chemical Formula Description

The 4-Biphenylyl benzoate molecule contains a total of 35 atom(s). There are 14 Hydrogen atom(s), 19 Carbon atom(s), and 2 Oxygen atom(s). A chemical formula of 4-Biphenylyl benzoate can therefore be written as:

C19H14O2

The chemical formula of 4-Biphenylyl benzoate shown above is based on the molecular formula indicating the numbers of each type of atom in a molecule without structural information, which is different from the empirical formula which provides the numerical proportions of atoms of each type.

The above chemical formula is the basis of stoichiometry in chemical equations, i.e., the calculation of relative quantities of reactants and products in chemical reactions. The law of conservation of mass dictates that the quantity of each element given in the chemical formula does not change in a chemical reaction. Thus, each side of the chemical equation must represent the same quantity of any particular element based on the chemical formula.

3D chemical structure image of 4-Biphenylyl benzoate
Ball-and-stick model of 4-Biphenylyl benzoate

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  • Name: ethanol
  • CAS #: 64-17-5
  • Formula: C2H5OH
  • Smiles: CCO
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  • InChIKey: LFQSCWFLJHTTHZ-UHFFFAOYSA-N

Additional Information for Identifying 4-Biphenylyl benzoate Molecule


  • InChI (IUPAC International Chemical Identifier) information of 4-Biphenylyl benzoate

    The molecular chemical formulas lack structural information. An alternative textual expression including the structural information is InChI. The full standard InChI of 4-Biphenylyl benzoate is:

    InChI=1S/C19H14O2/c20-19(17-9-5-2-6-10-17)21-18-13-11-16(12-14-18)15-7-3-1-4-8-15/h1-14H

    It can provide a standard way to encode the molecular information of 4-Biphenylyl benzoate 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 4-Biphenylyl benzoate is:

    InChIKey=CINHWMYRCOGYIX-UHFFFAOYSA-N

    The InChIKey may allow easier web searches for 4-Biphenylyl benzoate, but it needs to be linked to the full InChI to get back to the original structure of the 4-Biphenylyl benzoate since the full standard InChI cannot be reconstructed from the InChIKey.

  • Other names (synonyms) or registry numbers of 4-Biphenylyl benzoate

    The 4-Biphenylyl benzoate compound may have different names depending on the various different situations of industrial applications. The list of the other names (synonyms) of 4-Biphenylyl benzoate including the registry numbers is given below, if available:

    • 3B1-003101
    • A815619
    • B1866
    • MFCD00223541
    • AR-1H9900
    • benzoic acid (4-phenylphenyl) ester
    • BENZOICACID4-BIPHENYLESTER
    • Benzoic Acid 4-Biphenyl Ester
    • Benzoic acid, 4-biphenyl ester
    • 4-Benzoyloxybiphenyl
    • 4-biphenylylbenzoate
    • (4-phenylphenyl) benzoate
    • 2170-13-0
    • 4-Biphenylyl benzoate
    • biphenyl-4-yl benzoate
    • Benzoic Acid 4-Biphenyl Ester

4-Biphenylyl benzoate Identification Summary Frequently Asked Questions (FAQs)

What’s the chemical formula of 4-Biphenylyl benzoate?
C19H14O2
How many atoms and what are they in the 4-Biphenylyl benzoate structure?
35 atom(s) - 14 Hydrogen atom(s), 19 Carbon atom(s), and 2 Oxygen atom(s)
How many chemical bonds and what are they in the 4-Biphenylyl benzoate structure?
37 bond(s) - 23 non-H bond(s), 19 multiple bond(s), 4 rotatable bond(s), 1 double bond(s), 18 aromatic bond(s), 3 six-membered ring(s), and 1 ester(s) (aromatic)
What’s the molecular weight of 4-Biphenylyl benzoate?
274.31326 g/mol
What’s the SMILES string of 4-Biphenylyl benzoate?
O=C(Oc1ccc(cc1)c2ccccc2)c3ccccc3
What’s the InChI of 4-Biphenylyl benzoate?
InChI=1S/C19H14O2/c20-19(17-9-5-2-6-10-17)21-18-13-11-16(12-14-18)15-7-3-1-4-8-15/h1-14H
What’s the InChIKey of 4-Biphenylyl benzoate?
CINHWMYRCOGYIX-UHFFFAOYSA-N