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
    1.0566    2.2731    1.1567 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6741    1.3067    0.6698 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1227    1.1256    0.5722 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3505   -0.0384   -0.0117 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0799   -0.6798   -0.3269 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8990   -1.8068   -0.8902 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0171    0.1760    0.1066 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3732   -0.0918   -0.0212 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9145   -1.3604    0.0316 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2865   -1.5842   -0.0977 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1488   -0.5263   -0.2844 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6122    0.7471   -0.3382 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2495    0.9587   -0.2088 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8771   -0.7238   -0.4546 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.9009    1.8201    0.9151 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3381   -0.4229   -0.2086 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2242   -2.1795    0.1783 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6987   -2.5745   -0.0546 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2285    1.6235   -0.4833 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8257    1.9575   -0.2500 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