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SDF/Mol File of (2Z)-2-[(2-chlorophenyl)methylidene]-3-oxo-2,3-dihydro-1-benzofuran-6-yl 2-chloro-2-phenylacetate (C23H14Cl2O4)

Identification of (2Z)-2-[(2-chlorophenyl)methylidene]-3-oxo-2,3-dihydro-1-benzofuran-6-yl 2-chloro-2-phenylacetate Chemical Compound

2D chemical structure image of (2Z)-2-[(2-chlorophenyl)methylidene]-3-oxo-2,3-dihydro-1-benzofuran-6-yl 2-chloro-2-phenylacetate
Chemical Formula C23H14Cl2O4
Molecular Weight 425.26086 g/mol
IUPAC Name (2Z)-2-[(2-chlorophenyl)methylidene]-3-oxo-2,3-dihydro-1-benzofuran-6-yl 2-chloro-2-phenylacetate
SMILES String ClC(C(=O)Oc2ccc1C(=O)C(Oc1c2)=Cc3ccccc3Cl)c4ccccc4
InChI InChI=1S/C23H14Cl2O4/c24-18-9-5-4-8-15(18)12-20-22(26)17-11-10-16(13-19(17)29-20)28-23(27)21(25)14-6-2-1-3-7-14/h1-13,21H/b20-12-
InChIKey FQEOHBPGFZOWAN-NDENLUEZSA-N

Structure Data File (SDF/MOL File) Description

The structure data file (SDF/MOL File) of (2Z)-2-[(2-chlorophenyl)methylidene]-3-oxo-2,3-dihydro-1-benzofuran-6-yl 2-chloro-2-phenylacetate 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 (2Z)-2-[(2-chlorophenyl)methylidene]-3-oxo-2,3-dihydro-1-benzofuran-6-yl 2-chloro-2-phenylacetate 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 (2Z)-2-[(2-chlorophenyl)methylidene]-3-oxo-2,3-dihydro-1-benzofuran-6-yl 2-chloro-2-phenylacetate
Ball-and-stick model of (2Z)-2-[(2-chlorophenyl)methylidene]-3-oxo-2,3-dihydro-1-benzofuran-6-yl 2-chloro-2-phenylacetate

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  • InChIKey: LFQSCWFLJHTTHZ-UHFFFAOYSA-N

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Additional Information for Identifying (2Z)-2-[(2-chlorophenyl)methylidene]-3-oxo-2,3-dihydro-1-benzofuran-6-yl 2-chloro-2-phenylacetate Molecule

  • Other names (synonyms) or registry numbers of (2Z)-2-[(2-chlorophenyl)methylidene]-3-oxo-2,3-dihydro-1-benzofuran-6-yl 2-chloro-2-phenylacetate

    The (2Z)-2-[(2-chlorophenyl)methylidene]-3-oxo-2,3-dihydro-1-benzofuran-6-yl 2-chloro-2-phenylacetate compound may be named differently depending on the various situations of industrial applications. Other names (synonyms) of (2Z)-2-[(2-chlorophenyl)methylidene]-3-oxo-2,3-dihydro-1-benzofuran-6-yl 2-chloro-2-phenylacetate including the registry numbers are listed below, if available:



    None available.


(2Z)-2-[(2-chlorophenyl)methylidene]-3-oxo-2,3-dihydro-1-benzofuran-6-yl 2-chloro-2-phenylacetate Identification Summary Frequently Asked Questions (FAQs)

What’s the (2Z)-2-[(2-chlorophenyl)methylidene]-3-oxo-2,3-dihydro-1-benzofuran-6-yl 2-chloro-2-phenylacetate formula?
C23H14Cl2O4
How many atoms and what elements are included in the (2Z)-2-[(2-chlorophenyl)methylidene]-3-oxo-2,3-dihydro-1-benzofuran-6-yl 2-chloro-2-phenylacetate molecule?
43 atom(s) - 14 Hydrogen atom(s), 23 Carbon atom(s), 4 Oxygen atom(s), and 2 Chlorine atom(s)
How many chemical bonds and what kind of bonds are in the (2Z)-2-[(2-chlorophenyl)methylidene]-3-oxo-2,3-dihydro-1-benzofuran-6-yl 2-chloro-2-phenylacetate structure?
46 bond(s) - 32 non-H bond(s), 21 multiple bond(s), 5 rotatable bond(s), 3 double bond(s), 18 aromatic bond(s), 1 five-membered ring(s), 3 six-membered ring(s), 1 nine-membered ring(s), 1 ester(s) (aliphatic), 1 ketone(s) (aromatic), and 1 ether(s) (aromatic)
What’s the (2Z)-2-[(2-chlorophenyl)methylidene]-3-oxo-2,3-dihydro-1-benzofuran-6-yl 2-chloro-2-phenylacetate’s molar mass?
425.26086 g/mol
What’s the SMILES structure of (2Z)-2-[(2-chlorophenyl)methylidene]-3-oxo-2,3-dihydro-1-benzofuran-6-yl 2-chloro-2-phenylacetate?
ClC(C(=O)Oc2ccc1C(=O)C(Oc1c2)=Cc3ccccc3Cl)c4ccccc4
What’s the InChI code of (2Z)-2-[(2-chlorophenyl)methylidene]-3-oxo-2,3-dihydro-1-benzofuran-6-yl 2-chloro-2-phenylacetate?
InChI=1S/C23H14Cl2O4/c24-18-9-5-4-8-15(18)12-20-22(26)17-11-10-16(13-19(17)29-20)28-23(27)21(25)14-6-2-1-3-7-14/h1-13,21H/b20-12-
What’s the InChIKey format of (2Z)-2-[(2-chlorophenyl)methylidene]-3-oxo-2,3-dihydro-1-benzofuran-6-yl 2-chloro-2-phenylacetate?
FQEOHBPGFZOWAN-NDENLUEZSA-N

34 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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