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
   -4.9240    0.4101   -0.3195 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -3.1816    0.2767   -0.2273 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3514    0.8081   -1.2033 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9832    0.6931   -1.1102 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4363    0.0339   -0.0199 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2730   -0.4898    0.9429 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6221   -0.3751    0.8492 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9883   -0.0861    0.0761 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.7038   -1.2916    0.3274 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2389   -2.4474    0.5104 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1382   -1.0146    0.3488 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2970    0.2809    0.1252 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9877    0.9217   -0.0541 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7722    2.1415   -0.2818 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7957    1.1902    0.0383 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -2.8220    1.3196   -2.0461 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3177    1.1136   -1.8828 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7643   -0.9927    1.7726 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2225   -0.8081    1.6422 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9764   -1.6841    0.5118 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