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
    1.8703    2.1115   -0.7874 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0171    0.8643   -0.5219 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3484    0.2712   -0.3528 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1725   -0.9888   -0.0956 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7481   -1.3341   -0.0710 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2673   -2.4889    0.1536 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0454   -0.1494   -0.3420 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3809    0.0257   -0.4249 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9166    1.2352   -0.7778 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3055    1.4066   -0.8504 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1708    0.3793   -0.5734 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6363   -0.8409   -0.2181 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2511   -1.0006   -0.1489 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8973    0.6443   -0.6663 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.3065    0.8152   -0.4350 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9433   -1.7455    0.0932 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3020    2.0905   -1.0108 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6827    2.3714   -1.1352 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2828   -1.6848    0.0085 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8928   -1.9823    0.1404 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