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
   -1.5581   -2.3088   -0.3658 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9294   -1.1130   -0.2432 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3003   -0.5967   -0.2745 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3026    0.7155   -0.1064 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9148    1.1143    0.0416 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5387    2.2940    0.2179 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0379    0.0038   -0.0383 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3822   -0.0324    0.0502 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1324    0.9418   -0.5718 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5215    0.9453   -0.5183 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2170   -0.0297    0.1622 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4744   -1.0072    0.7868 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0908   -1.0013    0.7276 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9668   -0.0295    0.2289 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -4.1997   -1.1748   -0.4132 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1848    1.3719   -0.0827 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5789    1.7084   -1.1107 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0553    1.7539   -1.0374 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0221   -1.7759    1.3218 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5248   -1.7796    1.2254 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