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
   -1.2461    2.1503   -1.0174 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7616    1.1573   -0.4680 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1734    0.8973   -0.2392 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2974   -0.2688    0.3738 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9640   -0.8355    0.5789 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7254   -1.9313    1.1314 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9844    0.0586    0.0500 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4312   -0.0690    0.0220 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2172    0.8984    0.6411 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5980    0.8303    0.6484 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2201   -0.2299    0.0225 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4845   -1.1964   -0.5942 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0951   -1.1070   -0.5888 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1487   -2.3470   -1.3799 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -3.9457    1.5961   -0.5496 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2670   -0.6851    0.6540 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6774    1.7260    1.1273 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1679    1.6229    1.1530 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3189   -0.2457    0.0516 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0060   -2.0214   -1.0792 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