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
   -4.9191   -0.1164    0.3389 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -3.1791   -0.1113    0.2358 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3992   -1.1234    0.7655 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0268   -1.1033    0.6795 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4242   -0.0279    0.0394 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2091    0.9710   -0.4837 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5839    0.9617   -0.4029 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9909    0.0094   -0.0311 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.7682    1.2064    0.1147 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3050    2.3598    0.3080 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1705    0.8286   -0.0048 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2848   -0.4738   -0.2058 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9392   -1.0269   -0.2300 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6415   -2.2406   -0.4003 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8248   -1.3330   -0.3955 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -2.8632   -1.9690    1.2662 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4410   -1.9057    1.1051 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7261    1.8169   -0.9899 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1863    1.7804   -0.8302 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0333    1.4971    0.0584 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