SDF/Mol File of 3-[(4-chlorophenyl)methyl]-1,2-benzoxazol-6-yl 2-chloro-2-phenylacetate (C22H15Cl2NO3)

Structure Data File (SDF/MOL File) Description

---

Search Another SDF·MOL File

Enter another compound to search for SDF·MOL file:

Deep Data Application Examples

Our Deep Data encompasses property data, spectral data, quantum chemical data, and molecular descriptor data for a wide range of chemical compounds. It features more than 2,100 high-quality datasets per single chemical compound, totaling over 8 billion datasets for 4.1+ million chemical compounds. Below are some application examples that may interest you:

Additional Information for Identifying 3-[(4-chlorophenyl)methyl]-1,2-benzoxazol-6-yl 2-chloro-2-phenylacetate Molecule

• Chemical structure of 3-[(4-chlorophenyl)methyl]-1,2-benzoxazol-6-yl 2-chloro-2-phenylacetate

  By visualizing the structure data file (SDF/MOL File) above, the chemical structure image of 3-[(4-chlorophenyl)methyl]-1,2-benzoxazol-6-yl 2-chloro-2-phenylacetate is available in chemical structure page of 3-[(4-chlorophenyl)methyl]-1,2-benzoxazol-6-yl 2-chloro-2-phenylacetate, which specifies the molecular geometry, i.e., the spatial arrangement of atoms and the chemical bonds that hold the atoms together.

• Molecular weight of 3-[(4-chlorophenyl)methyl]-1,2-benzoxazol-6-yl 2-chloro-2-phenylacetate

  The molecular weight of 3-[(4-chlorophenyl)methyl]-1,2-benzoxazol-6-yl 2-chloro-2-phenylacetate is available in molecular weight page of 3-[(4-chlorophenyl)methyl]-1,2-benzoxazol-6-yl 2-chloro-2-phenylacetate, 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 3-[(4-chlorophenyl)methyl]-1,2-benzoxazol-6-yl 2-chloro-2-phenylacetate

  The chemical formula of 3-[(4-chlorophenyl)methyl]-1,2-benzoxazol-6-yl 2-chloro-2-phenylacetate is given in chemical formula page of 3-[(4-chlorophenyl)methyl]-1,2-benzoxazol-6-yl 2-chloro-2-phenylacetate, 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 3-[(4-chlorophenyl)methyl]-1,2-benzoxazol-6-yl 2-chloro-2-phenylacetate

  An alternative way of expressing structural information in text format is InChI. The full standard InChI of 3-[(4-chlorophenyl)methyl]-1,2-benzoxazol-6-yl 2-chloro-2-phenylacetate is:

  InChI=1S/C22H15Cl2NO3/c23-16-8-6-14(7-9-16)12-19-18-11-10-17(13-20(18)28-25-19)27-22(26)21(24)15-4-2-1-3-5-15/h1-11,13,21H,12H2

  It can provide a standard way to encode the molecular information of 3-[(4-chlorophenyl)methyl]-1,2-benzoxazol-6-yl 2-chloro-2-phenylacetate 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 3-[(4-chlorophenyl)methyl]-1,2-benzoxazol-6-yl 2-chloro-2-phenylacetate is:

  InChIKey=GADOPXLGESQETP-UHFFFAOYSA-N

  The InChIKey may allow easier web searches for 3-[(4-chlorophenyl)methyl]-1,2-benzoxazol-6-yl 2-chloro-2-phenylacetate, but it needs to be linked to the full InChI to get back to the original structure of the 3-[(4-chlorophenyl)methyl]-1,2-benzoxazol-6-yl 2-chloro-2-phenylacetate since the full standard InChI cannot be reconstructed from the InChIKey.

• Other names (synonyms) or registry numbers of 3-[(4-chlorophenyl)methyl]-1,2-benzoxazol-6-yl 2-chloro-2-phenylacetate

  The 3-[(4-chlorophenyl)methyl]-1,2-benzoxazol-6-yl 2-chloro-2-phenylacetate compound may be named differently depending on the various situations of industrial applications. Other names (synonyms) of 3-[(4-chlorophenyl)methyl]-1,2-benzoxazol-6-yl 2-chloro-2-phenylacetate including the registry numbers are listed below, if available:

  
  
  None available.

---

3-[(4-chlorophenyl)methyl]-1,2-benzoxazol-6-yl 2-chloro-2-phenylacetate Identification Summary Frequently Asked Questions (FAQs)

What’s the 3-[(4-chlorophenyl)methyl]-1,2-benzoxazol-6-yl 2-chloro-2-phenylacetate formula?
C22H15Cl2NO3
How many atoms and what elements are included in the 3-[(4-chlorophenyl)methyl]-1,2-benzoxazol-6-yl 2-chloro-2-phenylacetate molecule?
43 atom(s) - 15 Hydrogen atom(s), 22 Carbon atom(s), 1 Nitrogen atom(s), 3 Oxygen atom(s), and 2 Chlorine atom(s)
How many chemical bonds and what kind of bonds are in the 3-[(4-chlorophenyl)methyl]-1,2-benzoxazol-6-yl 2-chloro-2-phenylacetate structure?
46 bond(s) - 31 non-H bond(s), 23 multiple bond(s), 6 rotatable bond(s), 1 double bond(s), 22 aromatic bond(s), 1 five-membered ring(s), 3 six-membered ring(s), 1 nine-membered ring(s), 1 ester(s) (aliphatic), and 1 Isoxazole(s)
What’s the 3-[(4-chlorophenyl)methyl]-1,2-benzoxazol-6-yl 2-chloro-2-phenylacetate’s molar mass?
412.2654 g/mol
What’s the SMILES structure of 3-[(4-chlorophenyl)methyl]-1,2-benzoxazol-6-yl 2-chloro-2-phenylacetate?
ClC(C(=O)Oc3ccc2c(Cc1ccc(Cl)cc1)noc2c3)c4ccccc4
What’s the InChI code of 3-[(4-chlorophenyl)methyl]-1,2-benzoxazol-6-yl 2-chloro-2-phenylacetate?
InChI=1S/C22H15Cl2NO3/c23-16-8-6-14(7-9-16)12-19-18-11-10-17(13-20(18)28-25-19)27-22(26)21(24)15-4-2-1-3-5-15/h1-11,13,21H,12H2
What’s the InChIKey format of 3-[(4-chlorophenyl)methyl]-1,2-benzoxazol-6-yl 2-chloro-2-phenylacetate?
GADOPXLGESQETP-UHFFFAOYSA-N

29 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).