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
    1.3760   -0.7247    2.1755 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8150   -0.3370    1.0730 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1967   -0.1961    0.6746 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2539    0.2417   -0.5731 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8960    0.4211   -1.0907 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5469    0.8238   -2.2418 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0140    0.0502   -0.0354 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4157    0.0392   -0.0159 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1278    0.9372    0.7533 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5137    0.9239    0.7868 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2322    0.0006    0.0426 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5346   -0.8972   -0.7247 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1369   -0.8709   -0.7481 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2930   -2.0445   -1.7438 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.0420   -0.4326    1.3373 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1761    0.4400   -1.1329 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5720    1.6584    1.3350 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0731    1.6175    1.3811 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3266   -0.0339    0.0471 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0909   -1.6167   -1.2999 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