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
   -1.7441    2.0500    0.9139 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0084    0.9546    0.3564 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3514    0.4411    0.0382 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2103   -0.7248   -0.5351 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7879   -1.0676   -0.6392 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2699   -2.1025   -1.1303 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0341    0.0111   -0.0674 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3891    0.0573    0.0242 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0513   -1.0117    0.6305 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4131   -0.9412    0.7068 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1872    0.0886    0.2394 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5037    1.1372   -0.3586 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1285    1.1120   -0.4591 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9464    0.0848    0.3875 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -4.2708    0.9621    0.2547 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0423   -1.3435   -0.8831 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4633   -1.8484    1.0139 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9276   -1.7754    1.1794 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0950    1.9739   -0.7422 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6139    1.9425   -0.9301 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