Structure & Deep Data of N-{[(1,3-dichloropropan-2-yl)oxy]methyl}-N-methylcarbamoyl chloride (C6H10Cl3NO2)

Chemical Structure Description

A chemical structure of a molecule includes the arrangement of atoms and the chemical bonds that hold the atoms together. The N-{[(1,3-dichloropropan-2-yl)oxy]methyl}-N-methylcarbamoyl chloride molecule contains a total of 21 bond(s). There are 11 non-H bond(s), 1 multiple bond(s), 3 rotatable bond(s), 1 double bond(s), and 1 ether(s) (aliphatic). Images of the chemical structure of N-{[(1,3-dichloropropan-2-yl)oxy]methyl}-N-methylcarbamoyl chloride are given below:

The 2D chemical structure image of N-{[(1,3-dichloropropan-2-yl)oxy]methyl}-N-methylcarbamoyl chloride is also called skeletal formula, which is the standard notation for organic molecules. The carbon atoms in the chemical structure of N-{[(1,3-dichloropropan-2-yl)oxy]methyl}-N-methylcarbamoyl chloride are implied to be located at the corner(s) and hydrogen atoms attached to carbon atoms are not indicated – each carbon atom is considered to be associated with enough hydrogen atoms to provide the carbon atom with four bonds.

The 3D chemical structure image of N-{[(1,3-dichloropropan-2-yl)oxy]methyl}-N-methylcarbamoyl chloride is based on the ball-and-stick model which displays both the three-dimensional position of the atoms and the bonds between them. The radius of the spheres is therefore smaller than the rod lengths in order to provide a clearer view of the atoms and bonds throughout the chemical structure model of N-{[(1,3-dichloropropan-2-yl)oxy]methyl}-N-methylcarbamoyl chloride. Download structure data file (SDF/MOL) file of this compound.

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Additional Information for Identifying N-{[(1,3-dichloropropan-2-yl)oxy]methyl}-N-methylcarbamoyl chloride Molecule

• SMILES (Simplified Molecular-Input Line-Entry System) string of N-{[(1,3-dichloropropan-2-yl)oxy]methyl}-N-methylcarbamoyl chloride

  The SMILES string of N-{[(1,3-dichloropropan-2-yl)oxy]methyl}-N-methylcarbamoyl chloride is CN(COC(CCl)CCl)C(Cl)=O, which can be can be imported by most molecule editors for conversion back into two-dimensional drawings or three-dimensional models of the N-{[(1,3-dichloropropan-2-yl)oxy]methyl}-N-methylcarbamoyl chloride.

• Structure Data File (SDF/MOL File) of N-{[(1,3-dichloropropan-2-yl)oxy]methyl}-N-methylcarbamoyl chloride

  The structure data file (SDF/MOL File) of N-{[(1,3-dichloropropan-2-yl)oxy]methyl}-N-methylcarbamoyl chloride is available for download in the SDF page of N-{[(1,3-dichloropropan-2-yl)oxy]methyl}-N-methylcarbamoyl chloride, which provides the information about the atoms, bonds, connectivity and coordinates of N-{[(1,3-dichloropropan-2-yl)oxy]methyl}-N-methylcarbamoyl chloride. The N-{[(1,3-dichloropropan-2-yl)oxy]methyl}-N-methylcarbamoyl chloride structure data file can be imported to most of the cheminformatics software systems and applications.

• Chemical formula of N-{[(1,3-dichloropropan-2-yl)oxy]methyl}-N-methylcarbamoyl chloride

  The molecular formula of N-{[(1,3-dichloropropan-2-yl)oxy]methyl}-N-methylcarbamoyl chloride is available in chemical formula page of N-{[(1,3-dichloropropan-2-yl)oxy]methyl}-N-methylcarbamoyl chloride, which identifies each constituent element by its chemical symbol and indicates the proportionate number of atoms of each element.

• Molecular weight of N-{[(1,3-dichloropropan-2-yl)oxy]methyl}-N-methylcarbamoyl chloride

  The molecular weight of N-{[(1,3-dichloropropan-2-yl)oxy]methyl}-N-methylcarbamoyl chloride is available in molecular weight page of N-{[(1,3-dichloropropan-2-yl)oxy]methyl}-N-methylcarbamoyl chloride, which is calculated as the sum of the atomic weights of each constituent element multiplied by the number of atoms of that element in the molecular formula.

• Other names (synonyms) or registry numbers of N-{[(1,3-dichloropropan-2-yl)oxy]methyl}-N-methylcarbamoyl chloride

  The N-{[(1,3-dichloropropan-2-yl)oxy]methyl}-N-methylcarbamoyl chloride compound may be called differently depending on the various different situations of industrial applications. Below are the list of the other names (synonyms) of N-{[(1,3-dichloropropan-2-yl)oxy]methyl}-N-methylcarbamoyl chloride including the various registry numbers, if available:

  
  
  None available.

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N-{[(1,3-dichloropropan-2-yl)oxy]methyl}-N-methylcarbamoyl chloride Identification Summary Frequently Asked Questions (FAQs)

What’s the chemical formula of N-{[(1,3-dichloropropan-2-yl)oxy]methyl}-N-methylcarbamoyl chloride?
C6H10Cl3NO2
How many atoms and what are the elements included the N-{[(1,3-dichloropropan-2-yl)oxy]methyl}-N-methylcarbamoyl chloride molecule?
22 atom(s) - 10 Hydrogen atom(s), 6 Carbon atom(s), 1 Nitrogen atom(s), 2 Oxygen atom(s), and 3 Chlorine atom(s)
How many chemical bonds and what kind of bonds are included the N-{[(1,3-dichloropropan-2-yl)oxy]methyl}-N-methylcarbamoyl chloride structure?
21 bond(s) - 11 non-H bond(s), 1 multiple bond(s), 3 rotatable bond(s), 1 double bond(s), and 1 ether(s) (aliphatic)
What’s the N-{[(1,3-dichloropropan-2-yl)oxy]methyl}-N-methylcarbamoyl chloride’s molecular weight?
234.5072 g/mol
What’s the SMILES code of N-{[(1,3-dichloropropan-2-yl)oxy]methyl}-N-methylcarbamoyl chloride?
CN(COC(CCl)CCl)C(Cl)=O
What’s the InChI string of N-{[(1,3-dichloropropan-2-yl)oxy]methyl}-N-methylcarbamoyl chloride?
InChI=1S/C6H10Cl3NO2/c1-10(6(9)11)4-12-5(2-7)3-8/h5H,2-4H2,1H3
What’s the InChIKey code of N-{[(1,3-dichloropropan-2-yl)oxy]methyl}-N-methylcarbamoyl chloride?
VGBBRHOULCCNRU-UHFFFAOYSA-N

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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).