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
   -1.3281   -2.2432   -1.1917 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7690   -1.2017   -0.6423 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1672   -0.9124   -0.4545 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3402    0.2537    0.1518 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0056    0.8002    0.3960 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7841    1.9152    0.9643 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0196   -0.1091   -0.1002 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3948    0.0518   -0.0639 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1598   -0.6568   -0.9762 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5327   -0.5061   -0.9602 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1482    0.3213   -0.0695 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3836    1.0234    0.8355 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0181    0.8926    0.8418 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9053    0.4831   -0.0943 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -3.9730   -1.5592   -0.7674 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2857    0.7281    0.4229 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7343   -1.3308   -1.7111 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1002   -1.0749   -1.6860 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8858    1.6741    1.5333 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4095    1.4510    1.5657 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