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
    1.3359   -2.4454   -0.1034 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8052   -1.2703   -0.1204 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1971   -0.9319   -0.2048 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3067    0.3782   -0.1977 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0048    0.9846   -0.1090 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7971    2.2310   -0.0830 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0415   -0.0496   -0.0591 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3721    0.0635    0.0334 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9963    1.0420    0.7740 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3742    1.1391    0.8591 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1803    0.2447    0.1947 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5818   -0.7442   -0.5541 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1870   -0.8293   -0.6303 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9445    0.3691    0.3034 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.0201   -1.6439   -0.2652 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2752    0.9043   -0.2542 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3798    1.7399    1.2943 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8797    1.8996    1.4363 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1817   -1.4674   -1.0910 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7064   -1.6140   -1.2228 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