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
    1.5536   -0.6874   -2.2610 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9290   -0.3196   -1.1046 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2854   -0.1573   -0.6009 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2911    0.2411    0.6535 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8995    0.3645    1.0499 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4951    0.7226    2.1796 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0561    0.0178   -0.0373 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3740    0.0186   -0.0272 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1253    1.1185   -0.3695 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5169    1.1047   -0.3551 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1855   -0.0541    0.0161 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4482   -1.1670    0.3626 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0663   -1.1284    0.3404 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9420   -0.1007    0.0435 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.2007   -0.3369   -1.1716 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1524    0.4475    1.2989 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5921    2.0070   -0.6543 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1054    1.9752   -0.6260 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0013   -2.0519    0.6464 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5058   -2.0141    0.6164 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