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
    1.5121    0.7549   -2.2429 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9079    0.3619   -1.1224 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3012    0.1972   -0.6991 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2897   -0.2334    0.5475 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9220   -0.3796    1.0230 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5954   -0.7738    2.1733 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0344   -0.0007   -0.0403 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3878    0.0054   -0.0066 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0760    0.1604    1.1790 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4713    0.1656    1.2323 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2098    0.0131    0.0793 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5206   -0.1419   -1.1054 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1253   -0.1466   -1.1553 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9596    0.0221    0.1664 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.1849    0.3993   -1.3219 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1645   -0.4454    1.1275 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4837    0.2812    2.0881 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9777    0.2895    2.1782 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1071   -0.2606   -2.0021 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5932   -0.2688   -2.0984 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