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
    4.9169    0.4496    0.3013 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.1870    0.2624    0.1334 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4326    1.3855   -0.1008 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0432    1.2463   -0.2342 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4129    0.0297   -0.1402 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2178   -1.0833    0.0977 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5913   -0.9687    0.2335 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9925   -0.1106   -0.2715 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7665   -1.2626    0.0159 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4445   -2.3938    0.4367 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1623   -0.9272   -0.2743 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2666    0.3152   -0.7034 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8962    0.8710   -0.7159 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7205    2.0591   -1.0934 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7630    1.1168   -1.1598 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.8283    2.3854   -0.1954 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4454    2.1436   -0.4172 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7942   -2.0544    0.1813 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1717   -1.8828    0.4228 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0294   -1.5811   -0.1672 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