Monomers

3-Chloro-1-(4-chlorophenyl)pyrrole-2,5-dione

Identifiers

IUPAC name
3-chloro-1-(4-chlorophenyl)pyrrole-2,5-dione
InchI
InChI=1S/C10H5Cl2NO2/c11-6-1-3-7(4-2-6)13-9(14)5-8(12)10(13)15/h1-5H
InchI Key
ZSWBDUWBJKHWAO-UHFFFAOYSA-N
SMILES
Clc1ccc(cc1)N1C(=O)C=C(C1=O)Cl
Canonical SMILES
C1=CC(=CC=C1N2C(=O)C=C(C2=O)Cl)Cl
Isomeric SMILES
C1=CC(=CC=C1N2C(=O)C=C(C2=O)Cl)Cl
Resources
cid=

Structures

2D Structure
3D Structure

Molecular Formula and Computed Descriptors

Molecular Formula
C10H5Cl2NO2
Heavy Atom Count
15
Molecular Weight
242.061
Exact Molecular Weight
240.9697
Valence Electrons
76
Radical Electrons
0
tPSA
37.38
MolLogP
2.3359
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
    4.9435   -0.5180   -0.3956 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.2036   -0.3231   -0.3188 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4258   -1.2804    0.2771 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0519   -1.1435    0.3461 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4007   -0.0519   -0.1738 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1859    0.9075   -0.7717 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5599    0.7780   -0.8445 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0123    0.1175   -0.1165 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7519    1.3319   -0.1624 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2524    2.5027   -0.2665 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1886    1.0379   -0.0715 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3059   -0.2577    0.0225 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0096   -0.9209    0.0034 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7399   -2.1481    0.0737 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8573   -1.0886    0.1555 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.9171   -2.1686    0.7048 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4648   -1.9109    0.8202 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7542    1.8038   -1.2115 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1820    1.5284   -1.3128 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9715    1.8042   -0.0860 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  5  8  1  0
  8  9  1  0
  9 10  2  0
  9 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  2  0
 12 15  1  0
  7  2  1  0
 13  8  1  0
  3 16  1  0
  4 17  1  0
  6 18  1  0
  7 19  1  0
 11 20  1  0
M  END

Similar Monomers

Structure
Similarity
IUPAC name
MF
Copolymers