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
    1.5857   -1.1541   -1.9664 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8921   -0.5864   -0.8924 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2572   -0.3825   -0.4309 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2327    0.2428    0.7303 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8309    0.4830    1.0905 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3629    1.0526    2.1198 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9769   -0.0420    0.0636 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4394   -0.0389   -0.0196 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1843   -1.1888   -0.1857 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5656   -1.1897   -0.2648 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2290    0.0301   -0.1721 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5212    1.2024   -0.0060 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1299    1.1490    0.0681 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1863    2.6140    0.2796 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.1357   -0.6963   -0.9616 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0735    0.5546    1.3638 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6231   -2.1310   -0.2529 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1298   -2.1118   -0.3981 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3029    0.0276   -0.2323 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0362    2.1652    0.0669 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