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
   -1.4170    1.4832   -1.8570 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8545    0.7474   -0.9185 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2661    0.5193   -0.6271 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3148   -0.2973    0.4143 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9561   -0.6422    0.8536 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6724   -1.3909    1.8084 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0321    0.0285   -0.0020 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3913   -0.0194    0.0583 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1146    0.0836   -1.1066 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5017    0.0452   -1.1241 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2029   -0.1002    0.0519 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4665   -0.2030    1.2177 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0862   -0.1655    1.2422 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9545   -0.1538    0.0763 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -4.1284    0.9405   -1.1640 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2345   -0.6362    0.8468 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5582    0.1984   -2.0341 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0494    0.1284   -2.0533 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0285   -0.3185    2.1505 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5220   -0.2475    2.1669 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