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
    1.2943    1.3899    1.9501 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8178    0.7995    0.9496 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2331    0.7130    0.6168 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3092    0.0104   -0.4977 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9960   -0.3993   -0.9590 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7539   -1.0759   -1.9884 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0459    0.1099   -0.0267 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3693   -0.0305   -0.0503 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0124   -0.6607    1.0019 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3873   -0.8217    1.0251 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1750   -0.3575   -0.0058 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5406    0.2708   -1.0560 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1613    0.4331   -1.0808 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9177   -0.5445   -0.0083 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.0125    1.1633    1.2161 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2669   -0.2123   -0.9808 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4194   -1.0407    1.8351 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8901   -1.3207    1.8596 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1652    0.6428   -1.8809 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6913    0.9309   -1.9196 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