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
    1.8101   -1.2153   -1.6780 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9913   -0.5710   -0.6165 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3177   -0.3073   -0.0677 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1996    0.3905    1.0532 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7836    0.6180    1.2929 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2396    1.2338    2.2420 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0161    0.0118    0.2396 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3979   -0.0109    0.0722 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0833   -1.2026   -0.0408 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4565   -1.2194   -0.2034 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1786   -0.0466   -0.2571 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4707    1.1297   -0.1418 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1087    1.1695    0.0201 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9119    0.0345   -0.4594 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.2909   -0.6122   -0.4732 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0252    0.7220    1.6658 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5240   -2.1384    0.0003 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9836   -2.1592   -0.2913 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9953    2.0778   -0.1783 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5635    2.0956    0.1094 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