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
   -0.7903    2.4148   -0.6960 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5347    1.4423   -0.4440 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9917    1.3237   -0.4463 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3385    0.0966   -0.1158 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1300   -0.7193    0.1402 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1445   -1.9192    0.4718 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0296    0.1398   -0.0704 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3568   -0.1717    0.0401 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9105   -1.3347   -0.4627 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2718   -1.5118   -0.3197 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0991   -0.5817    0.3005 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5392    0.5735    0.7993 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1806    0.7570    0.6604 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8063   -0.9182    0.4045 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -3.6330    2.1705   -0.6969 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3664   -0.2323   -0.0498 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2523   -2.0385   -0.9365 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6836   -2.4360   -0.7248 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1563    1.2979    1.2775 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7023    1.6473    1.0399 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