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
   -4.9358   -0.4724    0.5195 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -3.1976   -0.3131    0.3502 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3260   -1.2277    0.9042 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9479   -1.0720    0.7488 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4053   -0.0141    0.0453 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2868    0.8874   -0.5007 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6573    0.7325   -0.3456 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9997    0.1405   -0.1126 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.7653    1.3360   -0.3197 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2164    2.4690   -0.3858 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1766    1.0090   -0.4275 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3096   -0.2992   -0.2993 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9795   -0.9078   -0.0983 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7511   -2.1269    0.0565 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8523   -1.1524   -0.3628 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -2.7612   -2.0512    1.4510 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3384   -1.8321    1.2140 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8672    1.7220   -1.0570 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3261    1.4659   -0.7924 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9989    1.7066   -0.5876 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