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
    1.7985    0.7130   -1.9856 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0603    0.1994   -0.8685 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3519   -0.1621   -0.3051 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1872   -0.6771    0.9009 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7420   -0.6784    1.1949 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2219   -1.0992    2.2583 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0321   -0.1302    0.0892 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3732    0.0493   -0.0371 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0834    0.8779    0.8367 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4418    1.0511    0.7146 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1591    0.4193   -0.2689 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4913   -0.4122   -1.1573 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1177   -0.5723   -1.0146 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8861    0.5860   -0.4922 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.2946   -0.0253   -0.8062 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9459   -1.0483    1.5933 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5149    1.3702    1.6057 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9625    1.6937    1.3998 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0238   -0.9314   -1.9514 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5807   -1.2234   -1.7064 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