Structure & Deep Data of 3-(Bromomethyl)benzoic acid N-succinimidylester (C12H10BrNO4)

Chemical Structure Description

A chemical structure of a molecule includes the arrangement of atoms and the chemical bonds that hold the atoms together. The 3-(Bromomethyl)benzoic acid N-succinimidylester molecule contains a total of 29 bond(s). There are 19 non-H bond(s), 9 multiple bond(s), 3 rotatable bond(s), 3 double bond(s), 6 aromatic bond(s), 1 five-membered ring(s), 1 six-membered ring(s), and 1 hydroxylamine(s) (aliphatic). Images of the chemical structure of 3-(Bromomethyl)benzoic acid N-succinimidylester are given below:

The 2D chemical structure image of 3-(Bromomethyl)benzoic acid N-succinimidylester is also called skeletal formula, which is the standard notation for organic molecules. The carbon atoms in the chemical structure of 3-(Bromomethyl)benzoic acid N-succinimidylester 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 3-(Bromomethyl)benzoic acid N-succinimidylester 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 3-(Bromomethyl)benzoic acid N-succinimidylester. Download structure data file (SDF/MOL) file of this compound.

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Additional Information for Identifying 3-(Bromomethyl)benzoic acid N-succinimidylester Molecule

• SMILES (Simplified Molecular-Input Line-Entry System) string of 3-(Bromomethyl)benzoic acid N-succinimidylester

  The SMILES string of 3-(Bromomethyl)benzoic acid N-succinimidylester is BrCc1cccc(c1)C(=O)ON2C(=O)CCC2=O, which can be can be imported by most molecule editors for conversion back into two-dimensional drawings or three-dimensional models of the 3-(Bromomethyl)benzoic acid N-succinimidylester.

• Structure Data File (SDF/MOL File) of 3-(Bromomethyl)benzoic acid N-succinimidylester

  The structure data file (SDF/MOL File) of 3-(Bromomethyl)benzoic acid N-succinimidylester is available for download in the SDF page of 3-(Bromomethyl)benzoic acid N-succinimidylester, which provides the information about the atoms, bonds, connectivity and coordinates of 3-(Bromomethyl)benzoic acid N-succinimidylester. The 3-(Bromomethyl)benzoic acid N-succinimidylester structure data file can be imported to most of the cheminformatics software systems and applications.

• Chemical formula of 3-(Bromomethyl)benzoic acid N-succinimidylester

  The molecular formula of 3-(Bromomethyl)benzoic acid N-succinimidylester is available in chemical formula page of 3-(Bromomethyl)benzoic acid N-succinimidylester, which identifies each constituent element by its chemical symbol and indicates the proportionate number of atoms of each element.

• Molecular weight of 3-(Bromomethyl)benzoic acid N-succinimidylester

  The molecular weight of 3-(Bromomethyl)benzoic acid N-succinimidylester is available in molecular weight page of 3-(Bromomethyl)benzoic acid N-succinimidylester, 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 3-(Bromomethyl)benzoic acid N-succinimidylester

  The 3-(Bromomethyl)benzoic acid N-succinimidylester compound may be called differently depending on the various different situations of industrial applications. Below are the list of the other names (synonyms) of 3-(Bromomethyl)benzoic acid N-succinimidylester including the various registry numbers, if available:

  • 3-(Bromomethyl)benzoic acid N-succinimidylester, >=95.0%
  • J-009250
  • 155863-35-7
  • N-Succinimidyl 3-(bromomethyl)benzoate
  • 3-(Bromomethyl)benzoic acid N-succinimidylester

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3-(Bromomethyl)benzoic acid N-succinimidylester Identification Summary Frequently Asked Questions (FAQs)

What’s the chemical formula of 3-(Bromomethyl)benzoic acid N-succinimidylester?
C12H10BrNO4
How many atoms and what are the elements included the 3-(Bromomethyl)benzoic acid N-succinimidylester molecule?
28 atom(s) - 10 Hydrogen atom(s), 12 Carbon atom(s), 1 Nitrogen atom(s), 4 Oxygen atom(s), and 1 Bromine atom(s)
How many chemical bonds and what kind of bonds are included the 3-(Bromomethyl)benzoic acid N-succinimidylester structure?
29 bond(s) - 19 non-H bond(s), 9 multiple bond(s), 3 rotatable bond(s), 3 double bond(s), 6 aromatic bond(s), 1 five-membered ring(s), 1 six-membered ring(s), and 1 hydroxylamine(s) (aliphatic)
What’s the 3-(Bromomethyl)benzoic acid N-succinimidylester’s molecular weight?
312.1161 g/mol
What’s the SMILES code of 3-(Bromomethyl)benzoic acid N-succinimidylester?
BrCc1cccc(c1)C(=O)ON2C(=O)CCC2=O
What’s the InChI string of 3-(Bromomethyl)benzoic acid N-succinimidylester?
InChI=1S/C12H10BrNO4/c13-7-8-2-1-3-9(6-8)12(17)18-14-10(15)4-5-11(14)16/h1-3,6H,4-5,7H2
What’s the InChIKey code of 3-(Bromomethyl)benzoic acid N-succinimidylester?
BHXBPWLMEXGVCV-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).