SDF/Mol File of 1-chloroethyl 4-nitrophenyl carbonate (C9H8ClNO5)

Structure Data File (SDF/MOL File) Description

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Additional Information for Identifying 1-chloroethyl 4-nitrophenyl carbonate Molecule

• Chemical structure of 1-chloroethyl 4-nitrophenyl carbonate

  By visualizing the structure data file (SDF/MOL File) above, the chemical structure image of 1-chloroethyl 4-nitrophenyl carbonate is available in chemical structure page of 1-chloroethyl 4-nitrophenyl carbonate, which specifies the molecular geometry, i.e., the spatial arrangement of atoms and the chemical bonds that hold the atoms together.

• Molecular weight of 1-chloroethyl 4-nitrophenyl carbonate

  The molecular weight of 1-chloroethyl 4-nitrophenyl carbonate is available in molecular weight page of 1-chloroethyl 4-nitrophenyl carbonate, 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 1-chloroethyl 4-nitrophenyl carbonate

  The chemical formula of 1-chloroethyl 4-nitrophenyl carbonate is given in chemical formula page of 1-chloroethyl 4-nitrophenyl carbonate, 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 1-chloroethyl 4-nitrophenyl carbonate

  An alternative way of expressing structural information in text format is InChI. The full standard InChI of 1-chloroethyl 4-nitrophenyl carbonate is:

  InChI=1S/C9H8ClNO5/c1-6(10)15-9(12)16-8-4-2-7(3-5-8)11(13)14/h2-6H,1H3

  It can provide a standard way to encode the molecular information of 1-chloroethyl 4-nitrophenyl carbonate 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 1-chloroethyl 4-nitrophenyl carbonate is:

  InChIKey=DXVQFTPXVZUWIF-UHFFFAOYSA-N

  The InChIKey may allow easier web searches for 1-chloroethyl 4-nitrophenyl carbonate, but it needs to be linked to the full InChI to get back to the original structure of the 1-chloroethyl 4-nitrophenyl carbonate since the full standard InChI cannot be reconstructed from the InChIKey.

• Other names (synonyms) or registry numbers of 1-chloroethyl 4-nitrophenyl carbonate

  The 1-chloroethyl 4-nitrophenyl carbonate compound may be named differently depending on the various situations of industrial applications. Other names (synonyms) of 1-chloroethyl 4-nitrophenyl carbonate including the registry numbers are listed below, if available:

  • Carbonic acid 4-nitro-phenyl ester 1-chloro-ethyl ester
  • Carbonic acid,4-nitrophenyl ester 1-chloroethyl ester
  • Z-8113
  • alpha-chloroethyl para-nitrophenyl Carbonate
  • alpha-chloroethyl 4-nitrophenyl carbonate
  • 1-Chloroethyl p-Nitrophenyl Carbonate
  • CS-M3307
  • AN-584/43503106
  • Carbonic acid, 1-chloroethyl 4-nitrophenyl ester
  • 1-chloroethyl (4-nitrophenyl) Carbonate

  • 1-chloroethyl 4-nitrophenyl carbonate
  • 101623-69-2

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1-chloroethyl 4-nitrophenyl carbonate Identification Summary Frequently Asked Questions (FAQs)

What’s the 1-chloroethyl 4-nitrophenyl carbonate formula?
C9H8ClNO5
How many atoms and what elements are included in the 1-chloroethyl 4-nitrophenyl carbonate molecule?
24 atom(s) - 8 Hydrogen atom(s), 9 Carbon atom(s), 1 Nitrogen atom(s), 5 Oxygen atom(s), and 1 Chlorine atom(s)
How many chemical bonds and what kind of bonds are in the 1-chloroethyl 4-nitrophenyl carbonate structure?
24 bond(s) - 16 non-H bond(s), 9 multiple bond(s), 5 rotatable bond(s), 3 double bond(s), 6 aromatic bond(s), 1 six-membered ring(s), 1 carbonate (-thio) derivative(s), and 1 nitro group(s) (aromatic)
What’s the 1-chloroethyl 4-nitrophenyl carbonate’s molar mass?
245.61652 g/mol
What’s the SMILES structure of 1-chloroethyl 4-nitrophenyl carbonate?
CC(Cl)OC(=O)Oc1ccc(cc1)[N+]([O-])=O
What’s the InChI code of 1-chloroethyl 4-nitrophenyl carbonate?
InChI=1S/C9H8ClNO5/c1-6(10)15-9(12)16-8-4-2-7(3-5-8)11(13)14/h2-6H,1H3
What’s the InChIKey format of 1-chloroethyl 4-nitrophenyl carbonate?
DXVQFTPXVZUWIF-UHFFFAOYSA-N

24 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).