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
    1.7483   -2.1954    0.1508 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0255   -0.9781    0.0194 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3294   -0.3419   -0.0891 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2178    0.9713   -0.2161 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7902    1.2534   -0.1953 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2819    2.3849   -0.2912 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0401    0.0438   -0.0487 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3753   -0.0560    0.0111 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0272   -0.2001    1.2186 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4018   -0.2995    1.2794 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1966   -0.2609    0.1506 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5414   -0.1163   -1.0558 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1571   -0.0160   -1.1246 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9501   -0.3897    0.2584 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.2789   -0.8831   -0.0694 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0216    1.7141   -0.3161 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4020   -0.2287    2.1052 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9115   -0.4154    2.2335 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1388   -0.0816   -1.9562 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6319    0.0953   -2.0645 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