Monomers

1-(4-Chlorophenyl)-1H-pyrrole-2,5-dione

Identifiers

IUPAC name
1-(4-chlorophenyl)pyrrole-2,5-dione
InchI
InChI=1S/C10H6ClNO2/c11-7-1-3-8(4-2-7)12-9(13)5-6-10(12)14/h1-6H
InchI Key
FPZQYYXSOJSITC-UHFFFAOYSA-N
SMILES
O=C1C=CC(=O)N1c1ccc(cc1)Cl
Canonical SMILES
C1=CC(=CC=C1N2C(=O)C=CC2=O)Cl
Isomeric SMILES
C1=CC(=CC=C1N2C(=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
   -1.2079    2.4334   -0.9232 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7317    1.3287   -0.5743 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1709    1.0455   -0.4376 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3466   -0.1943   -0.0610 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0522   -0.8321    0.0828 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7976   -2.0194    0.4282 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0530    0.1260   -0.2393 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3791   -0.0593   -0.2355 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2376    0.9976   -0.0366 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6090    0.8683   -0.0266 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1277   -0.3949   -0.2287 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2939   -1.4744   -0.4308 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9240   -1.3110   -0.4349 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8691   -0.6658   -0.2348 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -3.9280    1.7927   -0.6327 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2863   -0.6748    0.1155 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8126    1.9734    0.1198 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2793    1.7086    0.1321 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7557   -2.4558   -0.5848 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2863   -2.1923   -0.6000 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
 11 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
 12 19  1  0
 13 20  1  0
M  END

Similar Monomers

Structure
Similarity
IUPAC name
MF
Copolymers