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
    1.7216    2.1401    0.3774 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9559    0.8980    0.2469 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2519    0.2438    0.3387 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1123   -1.0685    0.1463 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7083   -1.3825   -0.0880 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2458   -2.5458   -0.3051 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0089   -0.1409   -0.0200 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3643    0.0463   -0.1718 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8659    1.0437   -0.9563 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2383    1.2382   -1.1019 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1007    0.4000   -0.4347 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5944   -0.6025    0.3531 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2317   -0.7863    0.4899 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8501    0.5961   -0.5729 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.1605    0.8143    0.5389 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9529   -1.7487    0.1726 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1914    1.7270   -1.4986 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5925    2.0384   -1.7300 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2265   -1.3034    0.9098 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8622   -1.6073    1.1326 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