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
    1.4584    1.3460   -1.8776 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8690    0.5409   -1.0045 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2445    0.1167   -0.7645 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2769   -0.7410    0.2424 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8886   -0.9173    0.7144 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5188   -1.6621    1.6642 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0145   -0.1132   -0.0695 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3985    0.0296    0.0279 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9505    0.9457    0.9059 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3111    1.1118    1.0325 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1232    0.3082    0.2284 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5752   -0.6100   -0.6518 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2157   -0.7536   -0.7567 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8515    0.4965    0.3703 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.1349    0.4277   -1.3020 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1232   -1.2474    0.6795 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3086    1.5522    1.5151 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7620    1.8312    1.7235 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2682   -1.2074   -1.2503 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7644   -1.4545   -1.4272 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