Monomers

1-(4-Chlorophenyl)-1H-pyrrole-2,5-dione

Identifiers

IUPAC name
1-(4-chlorophenyl)pyrrole-2,5-dione
InchI
InChI=1S/C10H6ClNO2/c11-7-1-3-8(4-2-7)12-9(13)5-6-10(12)14/h1-6H
InchI Key
FPZQYYXSOJSITC-UHFFFAOYSA-N
SMILES
O=C1C=CC(=O)N1c1ccc(cc1)Cl
Canonical SMILES
C1=CC(=CC=C1N2C(=O)C=CC2=O)Cl
Isomeric SMILES
C1=CC(=CC=C1N2C(=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
   -1.6259    2.3064   -0.5984 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9470    1.1019   -0.3565 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3108    0.5717   -0.2933 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2748   -0.7272   -0.0184 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8773   -1.1191    0.1135 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3881   -2.2670    0.3722 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0434    0.0382   -0.1004 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3792    0.0568   -0.0511 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2024    0.4497   -1.0669 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5818    0.4395   -0.9577 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1809    0.0185    0.2187 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3538   -0.3775    1.2437 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9775   -0.3683    1.1365 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9258    0.0038    0.3532 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -4.2127    1.1478   -0.4465 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1169   -1.4191    0.0972 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7505    0.7859   -1.9990 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2166    0.7599   -1.7863 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8390   -0.7059    2.1571 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3893   -0.6959    1.9826 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
 11 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
 12 19  1  0
 13 20  1  0
M  END

Similar Monomers

Structure
Similarity
IUPAC name
MF
Copolymers