Monomers

1-(4-Chlorophenyl)-1H-pyrrole-2,5-dione

Identifiers

IUPAC name
1-(4-chlorophenyl)pyrrole-2,5-dione
InchI
InChI=1S/C10H6ClNO2/c11-7-1-3-8(4-2-7)12-9(13)5-6-10(12)14/h1-6H
InchI Key
FPZQYYXSOJSITC-UHFFFAOYSA-N
SMILES
O=C1C=CC(=O)N1c1ccc(cc1)Cl
Canonical SMILES
C1=CC(=CC=C1N2C(=O)C=CC2=O)Cl
Isomeric SMILES
C1=CC(=CC=C1N2C(=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
    1.8546   -2.1458   -0.1076 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0014   -0.9172   -0.0570 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3453   -0.3172   -0.0525 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2114    0.9855    0.0060 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7808    1.3179    0.0431 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4070    2.5011    0.1000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0167    0.1167    0.0033 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3753   -0.0245    0.0203 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9789   -1.2617    0.0219 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3634   -1.4258    0.0392 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1810   -0.3362    0.0554 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6052    0.9094    0.0540 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2141    1.0652    0.0366 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9355   -0.5553    0.0763 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.3089   -0.8329   -0.0900 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0534    1.6944    0.0225 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4325   -2.1872    0.0109 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8183   -2.4241    0.0405 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2444    1.7708    0.0664 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8308    2.0671    0.0358 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
 11 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
 12 19  1  0
 13 20  1  0
M  END

Similar Monomers

Structure
Similarity
IUPAC name
MF
Copolymers