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
    1.3487    0.6527   -2.3476 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7931    0.3957   -1.1918 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1755    0.3661   -0.7245 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2048    0.0524    0.5547 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8400   -0.1494    1.0291 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4624   -0.4587    2.1944 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9749    0.0742   -0.0947 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4446   -0.0067   -0.0595 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1722    1.1799   -0.1097 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5454    1.0861   -0.0661 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1554   -0.1525    0.0228 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4454   -1.3290    0.0707 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0754   -1.2356    0.0289 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0777   -2.6848    0.0660 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.0345    0.5720   -1.3379 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0785   -0.0590    1.2157 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6888    2.1484   -0.1761 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1505    2.0038   -0.1016 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2300   -0.1534    0.0513 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9272   -2.3021    0.1446 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