Monomers

1-(4-Chlorophenyl)-1H-pyrrole-2,5-dione

Identifiers

IUPAC name
1-(4-chlorophenyl)pyrrole-2,5-dione
InchI
InChI=1S/C10H6ClNO2/c11-7-1-3-8(4-2-7)12-9(13)5-6-10(12)14/h1-6H
InchI Key
FPZQYYXSOJSITC-UHFFFAOYSA-N
SMILES
O=C1C=CC(=O)N1c1ccc(cc1)Cl
Canonical SMILES
C1=CC(=CC=C1N2C(=O)C=CC2=O)Cl
Isomeric SMILES
C1=CC(=CC=C1N2C(=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
    1.5605   -2.2993   -0.1236 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9480   -1.0896   -0.0745 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3085   -0.5789   -0.0744 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2750    0.7370   -0.0131 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8898    1.1834    0.0315 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4339    2.3695    0.0942 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0674    0.0203   -0.0082 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3670   -0.0205    0.0146 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0739   -0.7854    0.9175 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4607   -0.8168    0.9306 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1850   -0.0745    0.0297 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4932    0.6959   -0.8799 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1141    0.7239   -0.8893 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9450   -0.1135    0.0460 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.2231   -1.1814   -0.1180 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1042    1.4405    0.0052 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5219   -1.3888    1.6491 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0165   -1.4225    1.6460 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0746    1.2735   -1.5812 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5585    1.3274   -1.6022 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
 11 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
 12 19  1  0
 13 20  1  0
M  END

Similar Monomers

Structure
Similarity
IUPAC name
MF
Copolymers