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
   -1.7833   -1.9142   -0.8629 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0196   -0.8718   -0.1994 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3572   -0.3893    0.2096 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1709    0.7258    0.8831 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7534    1.0465    0.9637 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2326    2.0264    1.5259 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0167    0.0181    0.2673 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3886   -0.0640    0.1000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2395   -0.7026    0.9559 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5988   -0.7308    0.7108 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1349   -0.1207   -0.3961 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2968    0.5247   -1.2660 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9493    0.5507   -1.0196 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8780   -0.1656   -0.6964 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -4.2794   -0.9015   -0.0303 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9487    1.3209    1.3152 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8114   -1.1848    1.8317 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2840   -1.2440    1.3984 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6850    1.0105   -2.1389 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2953    1.0657   -1.7169 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