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
    1.6094   -1.5483    1.5234 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9085   -0.6686    0.6886 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2513   -0.2268    0.3105 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1959    0.7269   -0.6068 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7821    0.9535   -0.8729 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3551    1.7972   -1.6980 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9852    0.0916   -0.0728 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4267   -0.0343    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0900   -1.0091   -0.7206 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4795   -1.1599   -0.6715 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2297   -0.3170    0.1167 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5838    0.6610    0.8421 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2046    0.7998    0.7848 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3599    2.0372    1.6977 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.1827   -0.6069    0.7070 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0470    1.2230   -1.0541 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4800   -1.6756   -1.3455 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9807   -1.9365   -1.2481 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3024   -0.4339    0.1540 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1800    1.3265    1.4656 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