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
   -1.4536   -1.6776    1.8130 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8320   -0.9305    0.8690 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2467   -0.7934    0.5376 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3361    0.0452   -0.4815 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9881    0.4916   -0.8604 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8088    1.2946   -1.8091 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0304   -0.1264   -0.0043 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3823    0.0298   -0.0107 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2097   -0.7502    0.7660 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6041   -0.5846    0.7663 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2069    0.3703   -0.0137 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3913    1.1524   -0.7926 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9988    0.9827   -0.7885 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9648    0.5904   -0.0052 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -4.0925   -1.2786    1.0286 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2329    0.3695   -0.9669 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7823   -1.4996    1.3846 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2316   -1.2113    1.3839 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8450    1.9070   -1.4107 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4045    1.6187   -1.4053 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