Monomers

1-(2-Chlorophenyl)-1H-pyrrole-2,5-dione

Identifiers

IUPAC name
1-(2-chlorophenyl)pyrrole-2,5-dione
InchI
InChI=1S/C10H6ClNO2/c11-7-3-1-2-4-8(7)12-9(13)5-6-10(12)14/h1-6H
InchI Key
KPQOXMCRYWDRSB-UHFFFAOYSA-N
SMILES
O=C1C=CC(=O)N1c1ccccc1Cl
Canonical SMILES
C1=CC=C(C(=C1)N2C(=O)C=CC2=O)Cl
Isomeric SMILES
C1=CC=C(C(=C1)N2C(=O)C=CC2=O)Cl
Resources
cid=

Structures

2D Structure
3D Structure

Molecular Formula and Computed Descriptors

Molecular Formula
C10H6ClNO2
Heavy Atom Count
14
Molecular Weight
207.616
Exact Molecular Weight
207.0087
Valence Electrons
70
Radical Electrons
0
tPSA
37.38
MolLogP
1.7694
H Bond Acceptors
2
H Bond Donors
0
Aliphatic Carbocycles
0
Aromatic Carbocycles
1
Aliphatic Heterocycles
1
Aromatic Heterocycles
0
Aliphatic Rings
1
Aromatic Rings
1

MOL File


     RDKit          3D

 20 21  0  0  0  0  0  0  0  0999 V2000
    1.7141   -2.1416   -0.9502 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9535   -0.9509   -0.5777 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2714   -0.3320   -0.4909 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0943    0.9109   -0.0648 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6853    1.1816    0.1491 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1910    2.2668    0.5480 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9737   -0.0299   -0.1867 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4393   -0.1057   -0.0917 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0439   -0.1935    1.1490 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4307   -0.2410    1.2586 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1663   -0.1981    0.0856 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5988   -0.1119   -1.1564 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2013   -0.0656   -1.2319 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3702    0.0619   -2.7717 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.2167   -0.8204   -0.7290 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9248    1.6140    0.0909 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4298   -0.2253    2.0545 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9264   -0.3060    2.2218 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2440   -0.2307    0.1699 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1741   -0.0824   -2.0655 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  5  7  1  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  2  0
 13 14  1  0
  7  2  1  0
 13  8  1  0
  3 15  1  0
  4 16  1  0
  9 17  1  0
 10 18  1  0
 11 19  1  0
 12 20  1  0
M  END

Similar Monomers

Structure
Similarity
IUPAC name
MF
Copolymers