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
    0.8524   -1.5485   -2.2165 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5022   -0.9282   -1.3290 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9709   -0.8816   -1.2460 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3086   -0.1479   -0.2014 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1122    0.3256    0.4564 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9795    1.0524    1.4874 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9593   -0.1687   -0.2577 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4036    0.0783    0.0708 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8591    1.3408    0.3676 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1734    1.6156    0.6859 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0931    0.6038    0.7175 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6614   -0.6756    0.4230 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3392   -0.9375    0.1047 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9086   -2.5989   -0.2408 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.6298   -1.3842   -1.9578 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3381    0.0621    0.1131 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1602    2.1922    0.3574 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4961    2.6414    0.9132 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1385    0.8100    0.9745 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4198   -1.4513    0.4500 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