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
   -1.2968    2.1781    0.9297 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8125    1.0871    0.5474 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2284    0.7396    0.5162 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3076   -0.4910    0.0486 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9739   -1.0195   -0.2512 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7126   -2.1614   -0.7093 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0328   -0.0032    0.0716 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3847   -0.0312   -0.0417 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1426   -0.9498    0.6542 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5302   -0.9962    0.5586 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1651   -0.0864   -0.2650 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4172    0.8291   -0.9594 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0350    0.8678   -0.8579 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9297   -0.1442   -0.3873 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -4.0102    1.4181    0.8338 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2660   -1.0037   -0.0792 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6016   -1.6415    1.2861 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1055   -1.7213    1.1103 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9001    1.5477   -1.6080 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4292    1.5820   -1.3975 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