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
    1.3126   -0.5213    2.3514 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7607   -0.2521    1.2135 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1781   -0.1333    0.9089 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2624    0.1561   -0.3765 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9312    0.2424   -0.9793 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7171    0.5065   -2.1967 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9850   -0.0204    0.0471 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4287   -0.0491   -0.0569 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1348   -1.1705   -0.4624 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4906   -1.2082   -0.5675 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2016   -0.0562   -0.2498 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5521    1.0918    0.1602 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1756    1.0703    0.2480 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3257    2.5067    0.7607 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.0241   -0.2563    1.6006 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1949    0.3032   -0.8857 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5663   -2.0533   -0.7059 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0698   -2.0681   -0.8816 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2793   -0.0546   -0.3233 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1417    1.9666    0.3951 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