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
   -1.7317   -0.9549    2.0578 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9980   -0.4287    0.9387 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3444   -0.1326    0.4038 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2462    0.4168   -0.7946 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8197    0.5133   -1.1169 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2828    0.9750   -2.1608 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0377   -0.0192   -0.0246 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3880   -0.0954    0.0342 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0594    1.0771    0.3131 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4298    1.0825    0.3782 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1738   -0.0599    0.1723 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5051   -1.2227   -0.1042 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1271   -1.2208   -0.1682 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9226   -0.0912    0.2447 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -4.2867   -0.3279    0.9024 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0464    0.7520   -1.4570 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5429    2.0092    0.4877 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9603    1.9874    0.5942 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0658   -2.1214   -0.2696 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6189   -2.1384   -0.3853 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