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
    1.5895   -2.0679    1.2217 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9116   -1.0447    0.6002 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2509   -0.6152    0.2833 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1993    0.5432   -0.4023 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7913    0.8890   -0.5435 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3643    1.9200   -1.1370 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9760   -0.1275    0.0985 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4020   -0.0671    0.1296 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0277    1.1493    0.4742 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3962    1.2757    0.5236 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2139    0.2174    0.2387 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6367   -0.9892   -0.1028 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2650   -1.0933   -0.1467 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5599   -2.6048   -0.5708 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.1616   -1.1361    0.5553 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0986    1.0317   -0.7398 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4159    2.0254    0.7083 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8526    2.2226    0.7895 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2927    0.3238    0.2798 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2805   -1.8522   -0.3400 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