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
   -1.6299   -1.4482   -1.8853 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9140   -0.6928   -0.9138 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2788   -0.3597   -0.5091 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2513    0.4488    0.5374 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8607    0.6983    0.8869 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4515    1.4352    1.8485 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0515   -0.0170   -0.0227 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3601   -0.0316   -0.0143 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0920   -1.1960    0.0851 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4670   -1.1912    0.0927 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1864   -0.0156    0.0008 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4728    1.1602   -0.0994 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0945    1.1430   -0.1060 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9486   -0.0317    0.0125 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -4.2185   -0.7029   -0.9718 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0917    0.8846    1.0849 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5698   -2.1350    0.1592 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0561   -2.1015    0.1710 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0083    2.0984   -0.1723 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4923    2.0543   -0.1843 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