Monomers

3-Chloro-1-(4-chlorophenyl)pyrrole-2,5-dione

Identifiers

IUPAC name
3-chloro-1-(4-chlorophenyl)pyrrole-2,5-dione
InchI
InChI=1S/C10H5Cl2NO2/c11-6-1-3-7(4-2-6)13-9(14)5-8(12)10(13)15/h1-5H
InchI Key
ZSWBDUWBJKHWAO-UHFFFAOYSA-N
SMILES
Clc1ccc(cc1)N1C(=O)C=C(C1=O)Cl
Canonical SMILES
C1=CC(=CC=C1N2C(=O)C=C(C2=O)Cl)Cl
Isomeric SMILES
C1=CC(=CC=C1N2C(=O)C=C(C2=O)Cl)Cl
Resources
cid=

Structures

2D Structure
3D Structure

Molecular Formula and Computed Descriptors

Molecular Formula
C10H5Cl2NO2
Heavy Atom Count
15
Molecular Weight
242.061
Exact Molecular Weight
240.9697
Valence Electrons
76
Radical Electrons
0
tPSA
37.38
MolLogP
2.3359
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
   -4.9211    0.7940    0.1772 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -3.1860    0.4918    0.1300 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6371   -0.3299   -0.8502 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2692   -0.5725   -0.8943 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4080   -0.0119    0.0256 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9588    0.8033    0.9968 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3219    1.0516    1.0496 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9938   -0.2573   -0.0176 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.7352   -1.4380    0.1935 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2497   -2.5509    0.4758 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1614   -1.1270    0.0234 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2723    0.1619   -0.2718 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9507    0.7704   -0.3143 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6740    1.9775   -0.5638 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7592    1.0753   -0.5807 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -3.2949   -0.7784   -1.5801 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8192   -1.2110   -1.6508 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2648    1.2458    1.7262 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7352    1.6926    1.8160 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0201   -1.7872    0.1095 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  5  8  1  0
  8  9  1  0
  9 10  2  0
  9 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  2  0
 12 15  1  0
  7  2  1  0
 13  8  1  0
  3 16  1  0
  4 17  1  0
  6 18  1  0
  7 19  1  0
 11 20  1  0
M  END

Similar Monomers

Structure
Similarity
IUPAC name
MF
Copolymers