Monomers

1-(2-Chlorophenyl)-1H-pyrrole-2,5-dione

Identifiers

IUPAC name
1-(2-chlorophenyl)pyrrole-2,5-dione
InchI
InChI=1S/C10H6ClNO2/c11-7-3-1-2-4-8(7)12-9(13)5-6-10(12)14/h1-6H
InchI Key
KPQOXMCRYWDRSB-UHFFFAOYSA-N
SMILES
O=C1C=CC(=O)N1c1ccccc1Cl
Canonical SMILES
C1=CC=C(C(=C1)N2C(=O)C=CC2=O)Cl
Isomeric SMILES
C1=CC=C(C(=C1)N2C(=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
    1.2145    2.2874   -0.9541 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7420    1.1861   -0.5982 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1588    0.8230   -0.5487 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2938   -0.4244   -0.1233 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9559   -0.9451    0.1299 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7169   -2.0951    0.5415 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9881    0.0502   -0.1635 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4318   -0.0057   -0.0681 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1489    0.9880    0.5751 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5213    0.9389    0.6715 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2169   -0.1190    0.1203 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5178   -1.1094   -0.5191 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1344   -1.0712   -0.6237 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2969   -2.3722   -1.4508 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.9851    1.4783   -0.8245 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2235   -0.9716    0.0153 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5783    1.8043    0.9993 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0991    1.7092    1.1744 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3122   -0.1814    0.1813 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0210   -1.9702   -0.9697 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
 13 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
 11 19  1  0
 12 20  1  0
M  END

Similar Monomers

Structure
Similarity
IUPAC name
MF
Copolymers