Monomers

1-(2-Chlorophenyl)-1H-pyrrole-2,5-dione

Identifiers

IUPAC name
1-(2-chlorophenyl)pyrrole-2,5-dione
InchI
InChI=1S/C10H6ClNO2/c11-7-3-1-2-4-8(7)12-9(13)5-6-10(12)14/h1-6H
InchI Key
KPQOXMCRYWDRSB-UHFFFAOYSA-N
SMILES
O=C1C=CC(=O)N1c1ccccc1Cl
Canonical SMILES
C1=CC=C(C(=C1)N2C(=O)C=CC2=O)Cl
Isomeric SMILES
C1=CC=C(C(=C1)N2C(=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
    1.3670   -1.3499   -1.9481 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7973   -0.6883   -0.9687 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1980   -0.4710   -0.6032 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2681    0.2805    0.4946 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8949    0.5883    0.8955 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6092    1.2839    1.8995 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9849   -0.0151   -0.0155 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4371    0.0315    0.0037 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1297    1.0833   -0.5922 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4868    1.1717   -0.6000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2230    0.1718    0.0120 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5800   -0.8942    0.6179 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1856   -0.9569    0.6094 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3151   -2.2763    1.3570 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.0441   -0.8653   -1.1482 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2025    0.5798    0.9635 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5353    1.8609   -1.0688 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0489    1.9801   -1.0570 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3065    0.1817    0.0416 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1181   -1.6965    1.1070 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
 13 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
 11 19  1  0
 12 20  1  0
M  END

Similar Monomers

Structure
Similarity
IUPAC name
MF
Copolymers