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
   -4.9148   -0.1549   -0.6220 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -3.1761   -0.1126   -0.4100 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3861   -1.2425   -0.5626 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0213   -1.1850   -0.3835 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4013    0.0173   -0.0439 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2188    1.1118    0.0979 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5890    1.0847   -0.0749 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0042    0.0543    0.1365 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.6972    0.6655    1.2145 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1720    1.2777    2.1655 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1511    0.4531    1.0181 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3364   -0.2374   -0.0974 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0366   -0.5091   -0.6835 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7759   -1.1295   -1.7373 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8786   -0.7426   -0.7773 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -2.8988   -2.1555   -0.8271 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4255   -2.0532   -0.5011 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7546    2.0545    0.3670 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1971    1.9969    0.0521 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9314    0.8066    1.6690 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