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
    1.5190    1.9093    1.3544 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8648    0.8895    0.7147 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2458    0.4472    0.5152 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2060   -0.6675   -0.2091 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8204   -1.0031   -0.5175 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4952   -2.0002   -1.1856 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9794   -0.0218    0.0655 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4630    0.0358    0.0179 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0692    1.2323   -0.3339 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4394    1.2985   -0.3791 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2196    0.1861   -0.0775 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6017   -0.9927    0.2700 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2145   -1.0738    0.3190 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4572   -2.6103    0.7725 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.1352    0.9580    0.9002 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1150   -1.2109   -0.5116 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4440    2.0730   -0.5625 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9665    2.2032   -0.6447 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3077    0.2355   -0.1082 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1980   -1.8881    0.5204 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