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
   -1.3080    2.2512   -1.1118 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7905    1.1699   -0.6848 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2171    0.8408   -0.6254 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3137   -0.3770   -0.1196 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9861   -0.9082    0.1763 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7122   -2.0245    0.6592 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0248    0.0767   -0.1841 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4127   -0.0175   -0.0625 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0267   -1.2351   -0.1183 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3829   -1.3892   -0.0049 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1306   -0.2360    0.1736 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5247    0.9910    0.2311 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1726    1.1264    0.1162 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8781   -0.2772    0.3350 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -4.0733    1.4334   -0.9210 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2209   -0.9425    0.0675 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4579   -2.1518   -0.2582 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8961   -2.3344   -0.0441 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1021    1.9087    0.3728 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6623    2.0954    0.1583 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