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
    1.2269   -0.0531   -2.4917 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6911   -0.1657   -1.3198 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0992   -0.4000   -1.0484 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2166   -0.4622    0.2807 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9193   -0.2753    0.9151 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7384   -0.2870    2.1560 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9539   -0.0873   -0.1092 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4233    0.1289    0.0165 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1124    1.1695   -0.5703 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4529    1.3345   -0.4165 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1758    0.4425    0.3501 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4889   -0.5911    0.9326 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1306   -0.7856    0.7957 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3437   -2.1415    1.5826 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.8933   -0.5027   -1.7921 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1614   -0.6296    0.7753 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5121    1.8553   -1.1686 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9647    2.1654   -0.8927 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2548    0.5880    0.4652 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0408   -1.3032    1.5396 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