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
    1.2735    2.4019    0.3477 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7184    1.2378    0.1876 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1506    0.9338    0.1800 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2819   -0.3818   -0.0105 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9564   -0.9723   -0.1319 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7378   -2.1864   -0.3164 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9711    0.0445   -0.0077 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4252   -0.0227   -0.0542 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1954    0.7920   -0.8864 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5756    0.6909   -0.9002 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2457   -0.2095   -0.1007 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4947   -1.0181    0.7244 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1016   -0.9231    0.7447 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1498   -1.9662    1.8067 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.9715    1.6241    0.3032 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2576   -0.8685   -0.0568 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6767    1.4930   -1.5091 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1483    1.3471   -1.5674 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3214   -0.2909   -0.1084 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9844   -1.7257    1.3555 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