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
   -1.4290    0.6592   -2.2325 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8247    0.3136   -1.0928 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2017    0.1710   -0.6444 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2224   -0.2085    0.6181 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8548   -0.3464    1.1018 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4591   -0.6861    2.2376 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9819   -0.0115    0.0051 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4438   -0.0155    0.0161 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1175   -1.1585    0.3837 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5120   -1.1685    0.3864 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2315   -0.0383    0.0224 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5464    1.0963   -0.3430 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1467    1.1089   -0.3460 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2482    2.5539   -0.8048 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -4.0797    0.3490   -1.2550 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1456   -0.3857    1.1949 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5464   -2.0270    0.6618 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0118   -2.0830    0.6816 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3070   -0.0997    0.0378 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0876    1.9768   -0.6288 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