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
    1.7900   -2.0174   -0.8747 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0222   -0.8776   -0.3491 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3378   -0.3270   -0.0585 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1710    0.8620    0.4777 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7509    1.1709    0.5749 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1998    2.2228    1.0361 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0325    0.0421    0.0392 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3798   -0.0445   -0.0417 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0464   -0.8889    0.8192 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4426   -1.0050    0.7687 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1024   -0.2426   -0.1730 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4751    0.6134   -1.0521 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0780    0.6978   -0.9651 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8573   -0.3356   -0.2989 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.2933   -0.8304   -0.2597 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9682    1.5411    0.8070 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5586   -1.4986    1.5681 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9887   -1.6534    1.4298 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0253    1.1952   -1.7798 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6118    1.3757   -1.6680 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