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
   -1.4823   -2.2798   -0.2628 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8575   -1.0947   -0.0311 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2322   -0.6599    0.1478 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2108    0.6425    0.3694 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8134    1.1248    0.3460 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4272    2.3162    0.5209 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9700    0.0080    0.0906 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4441    0.0075   -0.0166 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2509    0.5227    1.0005 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6088    0.5316    0.9169 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2141    0.0228   -0.1932 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4288   -0.4963   -1.2199 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0518   -0.5068   -1.1382 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0213   -1.1462   -2.3983 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -4.1322   -1.2927    0.1076 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0258    1.3223    0.5480 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7490    0.9213    1.8719 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1836    0.9457    1.7401 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2985    0.0139   -0.2935 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9004   -0.9032   -2.1062 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