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
   -1.6867    1.7370    1.5069 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9866    0.7823    0.7240 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3496    0.3091    0.3861 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2339   -0.7010   -0.4602 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8227   -0.9440   -0.7215 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3488   -1.8361   -1.4844 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0235   -0.0005    0.0317 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3993    0.0559    0.0228 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0565    0.7591   -0.9509 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4282    0.8144   -0.9835 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1312    0.1362   -0.0010 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5203   -0.5844    1.0003 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1464   -0.6156    0.9990 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8922    0.1938   -0.0344 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -4.2576    0.7525    0.7930 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0704   -1.2437   -0.8749 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4907    1.2775   -1.7051 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9438    1.3686   -1.7541 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1432   -1.0847    1.7291 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6278   -1.1767    1.7770 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