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
    1.6295    0.2599    2.2316 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9325    0.0812    1.0235 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3123   -0.0465    0.5484 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2434   -0.2218   -0.7586 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8569   -0.2203   -1.2100 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4688   -0.3645   -2.3963 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0344   -0.0272   -0.0695 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3775    0.0438   -0.0161 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0973   -0.9377    0.6555 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4750   -0.9158    0.7376 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1946    0.1003    0.1444 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4769    1.0707   -0.5199 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1002    1.0595   -0.6088 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9420    0.1840    0.2124 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.1896    0.0014    1.1895 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0794   -0.3502   -1.4180 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5087   -1.7340    1.1178 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9890   -1.7020    1.2717 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0352    1.8765   -0.9917 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5504    1.8425   -1.1436 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