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
   -1.6138   -1.8849    1.4071 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9252   -0.9336    0.6246 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3056   -0.6161    0.2944 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3043    0.4116   -0.5316 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9026    0.8101   -0.7744 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6413    1.7629   -1.5289 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0296   -0.0445   -0.0388 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4019    0.0032    0.0092 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1302   -0.9844    0.6282 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5347   -0.9361    0.6853 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2211    0.1079    0.1202 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5061    1.1006   -0.5009 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1000    1.0425   -0.5522 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9858    0.2081    0.1807 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -4.2052   -1.1449    0.6680 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1972    0.8829   -0.9585 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6107   -1.8198    1.0780 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0754   -1.7271    1.1835 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0081    1.9324   -0.9530 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5507    1.8293   -1.0409 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