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
   -1.5632   -1.1145    1.9957 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9139   -0.5082    0.9544 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2773   -0.2225    0.5471 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2921    0.4315   -0.6024 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9008    0.6093   -1.0120 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4588    1.1797   -2.0464 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0420    0.0190   -0.0336 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3759   -0.0496   -0.0096 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0938   -1.2242   -0.0825 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4712   -1.2744   -0.0582 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1780   -0.0856    0.0451 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5024    1.1244    0.1217 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1093    1.1180    0.0927 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9308   -0.0455    0.0822 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -4.1746   -0.4908    1.0825 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1811    0.7776   -1.1499 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5316   -2.1525   -0.1644 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0265   -2.2104   -0.1164 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0231    2.0682    0.2032 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5615    2.0503    0.1509 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