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
   -1.7713    1.5480    1.5546 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9609    0.6616    0.7092 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3253    0.2131    0.3520 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2403   -0.7257   -0.5594 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8378   -0.9553   -0.8597 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4068   -1.7901   -1.6926 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0203   -0.0809   -0.0602 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3733    0.0290   -0.0476 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0062    1.1552    0.4430 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3850    1.2884    0.4541 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1838    0.2623   -0.0420 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5737   -0.8707   -0.5360 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1972   -0.9791   -0.5356 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9351    0.4039   -0.0491 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -4.2774    0.5717    0.7504 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0578   -1.2782   -1.0468 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4056    1.9593    0.8288 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8626    2.1734    0.8400 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1834   -1.6931   -0.9331 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7921   -1.8928   -0.9331 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