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
   -1.3129   -1.5923    2.0841 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7460   -0.8170    1.1651 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1681   -0.6038    0.8868 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3013    0.2447   -0.1116 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9675    0.6369   -0.5458 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6872    1.4394   -1.4839 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9958   -0.0293    0.2552 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4365    0.0452    0.1800 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1641   -1.0578   -0.2614 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5333   -1.0652   -0.3618 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2316    0.0695   -0.0111 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5441    1.1887    0.4328 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1621    1.1641    0.5230 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2925    2.5881    1.0903 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -3.9784   -1.0961    1.4490 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2361    0.5830   -0.5294 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5927   -1.9452   -0.5359 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0628   -1.9641   -0.7164 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3149    0.1142   -0.0727 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0588    2.0970    0.7171 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