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
   -1.5212   -1.5375    1.8012 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8921   -0.7966    0.8674 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3087   -0.5691    0.5130 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3135    0.2654   -0.5130 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9264    0.6264   -0.8853 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6260    1.4040   -1.8287 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0470   -0.0557   -0.0004 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3787    0.0190   -0.0085 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1357   -0.9545    0.6211 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5183   -0.8998    0.6369 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2100    0.1299    0.0227 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4696    1.1189   -0.6162 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0704    1.0419   -0.6173 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9586    0.2378    0.0213 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -4.1916   -0.9870    0.9808 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2010    0.6392   -1.0183 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6426   -1.7728    1.1093 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1069   -1.6669    1.1336 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0055    1.9268   -1.0967 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5313    1.8307   -1.1229 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