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
    1.0302    2.0045   -1.6664 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6166    1.1491   -0.9656 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0651    1.0406   -0.9088 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3290    0.0452   -0.0824 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0900   -0.5484    0.4420 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0701   -1.5118    1.2470 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0162    0.1557   -0.1216 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3810   -0.0545    0.0870 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8308   -1.2545    0.5913 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1768   -1.4722    0.8014 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1183   -0.5133    0.5197 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6689    0.6951    0.0128 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3091    0.9052   -0.1951 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8084   -0.8569    0.8078 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.7793    1.6515   -1.4379 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3620   -0.2710    0.1562 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1031   -2.0616    0.8231 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5212   -2.4101    1.1973 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4198    1.4524   -0.2078 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0212    1.8550   -0.5882 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