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
    1.4770   -1.8498    1.4675 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8109   -0.9258    0.6542 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1683   -0.6068    0.2579 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2016    0.3998   -0.5973 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8129    0.8106   -0.8160 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4910    1.7569   -1.5871 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9658   -0.0207   -0.0335 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4475    0.0359    0.0500 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0608    0.8465    1.0098 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4367    0.8906    1.0781 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1881    0.1345    0.1987 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5581   -0.6590   -0.7412 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1904   -0.7224   -0.8320 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3708   -1.7234   -2.0180 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.0655   -1.1238    0.6122 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0810    0.8616   -1.0700 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4434    1.4361    1.6951 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9446    1.5074    1.8089 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2690    0.1894    0.2762 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1645   -1.2376   -1.4136 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