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
   -1.5951    1.4757   -1.6866 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9166    0.6848   -0.7678 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2506    0.3137   -0.3221 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2112   -0.5448    0.6700 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8118   -0.8007    0.9483 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4020   -1.5810    1.8455 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9976   -0.0394    0.0577 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4210    0.0124   -0.0199 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1391   -1.1610   -0.0814 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5346   -1.1595   -0.1577 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2285    0.0141   -0.1733 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5282    1.1982   -0.1126 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1507    1.1833   -0.0376 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3119    2.7120    0.0371 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -4.1678    0.6936   -0.7495 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0827   -0.9811    1.1851 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6067   -2.1003   -0.0700 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0914   -2.0838   -0.2063 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3183    0.0467   -0.2319 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1050    2.1171   -0.1269 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