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
    1.1217   -2.4185   -0.3802 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6951   -1.3029   -0.2762 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1247   -1.0360   -0.3184 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3215    0.2596   -0.1735 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0053    0.9224   -0.0257 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8179    2.1549    0.1319 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9884   -0.0637   -0.0908 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4168    0.0785    0.0001 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1485   -0.6805    0.9134 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5013   -0.5984    1.0509 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1927    0.2845    0.2435 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5139    1.0627   -0.6807 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1392    0.9469   -0.7865 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3016    1.9245   -1.9416 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.9007   -1.7695   -0.4483 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2795    0.7575   -0.1629 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6076   -1.3808    1.5559 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0499   -1.2031    1.7722 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2733    0.3300    0.3744 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1101    1.7320   -1.2805 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