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
   -1.4310   -2.1511   -0.8930 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8829   -1.0724   -0.4418 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2584   -0.6347   -0.2540 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2924    0.5828    0.2537 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9085    1.0656    0.4499 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5773    2.1803    0.9139 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0580   -0.0074   -0.0006 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3599   -0.0028   -0.0015 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0680   -0.5929    1.0228 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4655   -0.5835    1.0180 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1847    0.0100    0.0001 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4723    0.5998   -1.0233 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0897    0.5900   -1.0179 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9520    0.0209   -0.0015 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -4.1180   -1.2344   -0.5033 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1418    1.1982    0.5129 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5325   -1.0574    1.8211 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0426   -1.0377    1.8061 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0069    1.0784   -1.8441 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4941    1.0483   -1.8174 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