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
   -1.6300   -1.1259    2.0037 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9204   -0.7978    0.8241 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2124   -0.9150    0.1580 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1487   -0.4674   -1.0957 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7834   -0.0311   -1.3010 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2516    0.4715   -2.3479 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0172   -0.2346   -0.1098 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3552    0.0741    0.0762 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8078    0.7966    1.1617 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1548    1.1009    1.3354 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0919    0.6836    0.4151 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6545   -0.0375   -0.6713 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3087   -0.3393   -0.8414 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8000    1.0730    0.6407 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -4.1098   -1.3116    0.6195 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9627   -0.4347   -1.8206 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0570    1.1157    1.8742 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5041    1.6691    2.1903 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3470   -0.3879   -1.4245 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9553   -0.9016   -1.6867 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