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
   -1.7353   -0.0978   -2.2379 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9724   -0.0090   -1.0020 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3153    0.0604   -0.4289 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2394    0.1474    0.8854 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8074    0.1388    1.2446 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3807    0.2087    2.4255 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0328    0.0412    0.0610 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3772    0.0026   -0.0352 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1204    0.9473   -0.7132 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4932    0.9164   -0.8112 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1745   -0.1291   -0.1903 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4711   -1.0870    0.4929 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0998   -1.0282    0.5726 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9204   -0.1383   -0.3341 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -4.2210    0.0424   -1.0025 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0912    0.2113    1.5445 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5683    1.7579   -1.1926 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0553    1.6755   -1.3530 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0103   -1.8886    0.9676 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5051   -1.7717    1.1068 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