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
    1.2610   -1.1078   -2.1111 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7868   -0.5865   -1.0975 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1791   -0.3965   -0.7297 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2803    0.2056    0.4421 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9220    0.4482    0.9164 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6050    1.0088    2.0083 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9762   -0.0407   -0.0339 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4400   -0.0137    0.0221 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1647   -1.1629   -0.1726 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5635   -1.1458   -0.1232 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1935    0.0326    0.1217 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4963    1.1887    0.3190 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1099    1.1572    0.2674 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1994    2.6332    0.5195 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.0243   -0.7177   -1.3569 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2151    0.4624    0.9406 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7098   -2.1279   -0.3702 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1223   -2.0576   -0.2797 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2918    0.0884    0.1673 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9585    2.1319    0.5144 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