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
   -1.6346   -1.9262   -1.2139 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9627   -0.9436   -0.4826 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3256   -0.5416   -0.0780 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2576    0.5462    0.6944 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8457    0.8994    0.8259 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4010    1.8712    1.4831 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0345   -0.0319    0.0899 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3846   -0.0183   -0.0243 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0202    0.6082   -1.0876 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3892    0.6452   -1.2358 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1910    0.0360   -0.2928 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5880   -0.5898    0.7675 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1986   -0.6234    0.9117 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9293    0.0830   -0.4809 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -4.2143   -1.0909   -0.3944 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1217    1.0529    1.1301 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3431    1.0772   -1.8103 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8407    1.1466   -2.0836 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1969   -1.0843    1.5362 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7161   -1.1159    1.7451 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