Monomers

1-(2-Chlorophenyl)-1H-pyrrole-2,5-dione

Identifiers

IUPAC name
1-(2-chlorophenyl)pyrrole-2,5-dione
InchI
InChI=1S/C10H6ClNO2/c11-7-3-1-2-4-8(7)12-9(13)5-6-10(12)14/h1-6H
InchI Key
KPQOXMCRYWDRSB-UHFFFAOYSA-N
SMILES
O=C1C=CC(=O)N1c1ccccc1Cl
Canonical SMILES
C1=CC=C(C(=C1)N2C(=O)C=CC2=O)Cl
Isomeric SMILES
C1=CC=C(C(=C1)N2C(=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
    0.9800    1.7285   -1.9345 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5028    0.7154   -1.3992 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8310    0.1763   -1.6645 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0566   -0.9012   -0.9217 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8693   -1.1352   -0.1128 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6362   -2.0515    0.7422 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8899   -0.1176   -0.4126 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4010    0.0083    0.1513 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3274   -1.0179    0.1616 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5861   -0.8932    0.7157 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9373    0.3224    1.2889 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0386    1.3644    1.2942 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7647    1.2069    0.7231 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3692    2.5373    0.7398 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.5577    0.5623   -2.3556 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9427   -1.5183   -0.8886 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0812   -1.9915   -0.2837 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2521   -1.7380    0.6880 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9258    0.4319    1.7296 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3212    2.3106    1.7388 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
 13 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
 11 19  1  0
 12 20  1  0
M  END

Similar Monomers

Structure
Similarity
IUPAC name
MF
Copolymers