Structure & Deep Data of N-boc-n-methyl-4-chloroanthranilic acid (C13H16ClNO4)

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-boc-n-methyl-4-chloroanthranilic acid molecule contains a total of 35 bond(s). There are 19 non-H bond(s), 8 multiple bond(s), 4 rotatable bond(s), 2 double bond(s), 6 aromatic bond(s), 1 six-membered ring(s), 1 carboxylic acid(s) (aromatic), 1 (thio-) carbamate(s) (aromatic), and 1 hydroxyl group(s). Images of the chemical structure of n-boc-n-methyl-4-chloroanthranilic acid are given below:

The 2D chemical structure image of n-boc-n-methyl-4-chloroanthranilic acid is also called skeletal formula, which is the standard notation for organic molecules. The carbon atoms in the chemical structure of n-boc-n-methyl-4-chloroanthranilic acid 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-boc-n-methyl-4-chloroanthranilic acid 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-boc-n-methyl-4-chloroanthranilic acid. Download structure data file (SDF/MOL) file of this compound.

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Additional Information for Identifying N-boc-n-methyl-4-chloroanthranilic acid Molecule

• SMILES (Simplified Molecular-Input Line-Entry System) string of n-boc-n-methyl-4-chloroanthranilic acid

  The SMILES string of n-boc-n-methyl-4-chloroanthranilic acid is CN(C(=O)OC(C)(C)C)c1cc(Cl)ccc1C(O)=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-boc-n-methyl-4-chloroanthranilic acid.

• Structure Data File (SDF/MOL File) of n-boc-n-methyl-4-chloroanthranilic acid

  The structure data file (SDF/MOL File) of n-boc-n-methyl-4-chloroanthranilic acid is available for download in the SDF page of n-boc-n-methyl-4-chloroanthranilic acid, which provides the information about the atoms, bonds, connectivity and coordinates of n-boc-n-methyl-4-chloroanthranilic acid. The n-boc-n-methyl-4-chloroanthranilic acid structure data file can be imported to most of the cheminformatics software systems and applications.

• Chemical formula of n-boc-n-methyl-4-chloroanthranilic acid

  The molecular formula of n-boc-n-methyl-4-chloroanthranilic acid is available in chemical formula page of n-boc-n-methyl-4-chloroanthranilic acid, which identifies each constituent element by its chemical symbol and indicates the proportionate number of atoms of each element.

• Molecular weight of n-boc-n-methyl-4-chloroanthranilic acid

  The molecular weight of n-boc-n-methyl-4-chloroanthranilic acid is available in molecular weight page of n-boc-n-methyl-4-chloroanthranilic acid, 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-boc-n-methyl-4-chloroanthranilic acid

  The n-boc-n-methyl-4-chloroanthranilic acid 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-boc-n-methyl-4-chloroanthranilic acid including the various registry numbers, if available:

  • Benzoic acid,4-chloro-2-[[(1,1-dimethylethoxy)carbonyl]methylamino]-
  • 2-[(tert-butoxy)-N-methylcarbonylamino]-4-chlorobenzoic acid
  • 2-(tert-butoxycarbonylmethylamino)-4-chlorobenzoic acid
  • X-1937
  • A13589
  • 4-chloro-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]benzoic Acid
  • MFCD03426356
  • 2-((tert-Butoxycarbonyl)(methyl)amino)-4-chlorobenzoic acid
  • 2-(tert-Butoxycarbonyl-methyl-amino)-4-chlorobenzoic acid
  • anthranilic acid, n-boc-n-methyl-4-chloro

  • Anthranilicacid,N-Boc-N-methyl-4-chloro
  • n-boc-n-methyl-4-chloroanthranilic acid
  • 886362-06-7

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N-boc-n-methyl-4-chloroanthranilic acid Identification Summary Frequently Asked Questions (FAQs)

What’s the chemical formula of n-boc-n-methyl-4-chloroanthranilic acid?
C13H16ClNO4
How many atoms and what are the elements included the n-boc-n-methyl-4-chloroanthranilic acid molecule?
35 atom(s) - 16 Hydrogen atom(s), 13 Carbon atom(s), 1 Nitrogen atom(s), 4 Oxygen atom(s), and 1 Chlorine atom(s)
How many chemical bonds and what kind of bonds are included the n-boc-n-methyl-4-chloroanthranilic acid structure?
35 bond(s) - 19 non-H bond(s), 8 multiple bond(s), 4 rotatable bond(s), 2 double bond(s), 6 aromatic bond(s), 1 six-membered ring(s), 1 carboxylic acid(s) (aromatic), 1 (thio-) carbamate(s) (aromatic), and 1 hydroxyl group(s)
What’s the n-boc-n-methyl-4-chloroanthranilic acid’s molecular weight?
285.72344 g/mol
What’s the SMILES code of n-boc-n-methyl-4-chloroanthranilic acid?
CN(C(=O)OC(C)(C)C)c1cc(Cl)ccc1C(O)=O
What’s the InChI string of n-boc-n-methyl-4-chloroanthranilic acid?
InChI=1S/C13H16ClNO4/c1-13(2,3)19-12(18)15(4)10-7-8(14)5-6-9(10)11(16)17/h5-7H,1-4H3,(H,16,17)
What’s the InChIKey code of n-boc-n-methyl-4-chloroanthranilic acid?
LNTUNTBYAAXKKX-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).