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
   -1.6679    2.1678   -0.5974 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9181    1.0066   -0.2492 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2685    0.4876   -0.0435 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1826   -0.7923    0.3260 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7504   -1.1546    0.3751 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3220   -2.2961    0.6913 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9706   -0.0221    0.0136 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4498    0.0048   -0.0516 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1686   -0.9367   -0.7850 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5455   -0.8751   -0.8211 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2441    0.0836   -0.1578 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5111    1.0077    0.5638 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1457    0.9872    0.6286 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2119    2.1563    1.5408 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -4.2155    1.0197   -0.1630 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0348   -1.4183    0.5418 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5977   -1.7026   -1.3127 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0799   -1.6186   -1.4008 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3370    0.1130   -0.1996 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0393    1.7820    1.1009 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