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
   -1.3592   -1.1458    2.1260 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8236   -0.6118    1.0745 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2384   -0.4917    0.7502 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3272    0.1143   -0.4137 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9862    0.4326   -0.9323 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6691    1.0031   -2.0016 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0537   -0.0348    0.0232 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3770    0.0448   -0.0334 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1590   -1.0916   -0.0345 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5360   -1.0713   -0.0875 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1611    0.1590   -0.1424 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4239    1.3275   -0.1438 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0385    1.2566   -0.0892 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9089    0.2275   -0.2108 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -4.0247   -0.8612    1.4037 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2233    0.3562   -0.9363 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6233   -2.0516    0.0102 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1068   -2.0137   -0.0854 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9364    2.2820   -0.1874 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4345    2.1698   -0.0892 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