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
   -1.7773    2.2153   -0.2344 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9951    0.9826   -0.1617 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3384    0.3976   -0.1202 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2035   -0.9117   -0.0445 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7876   -1.2592   -0.0324 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2890   -2.4108    0.0313 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0277   -0.0593   -0.1066 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3912    0.0573   -0.1216 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1313   -0.6230   -1.0888 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4933   -0.5440   -1.1467 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1574    0.2350   -0.2168 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4323    0.9024    0.7320 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0503    0.8361    0.8087 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9089    0.3803   -0.2353 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -4.3039    0.9079   -0.1451 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9733   -1.6878    0.0043 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6221   -1.2331   -1.8182 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0571   -1.0764   -1.9026 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9516    1.5137    1.4599 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5005    1.3771    1.5729 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