Monomers

3-Chloro-1-phenylpyrrole-2,5-dione

Identifiers

IUPAC name
3-chloro-1-phenylpyrrole-2,5-dione
InchI
InChI=1S/C10H6ClNO2/c11-8-6-9(13)12(10(8)14)7-4-2-1-3-5-7/h1-6H
InchI Key
ZKKDYLHSRWLPSP-UHFFFAOYSA-N
SMILES
ClC1=CC(=O)N(C1=O)c1ccccc1
Canonical SMILES
C1=CC=C(C=C1)N2C(=O)C=C(C2=O)Cl
Isomeric SMILES
C1=CC=C(C=C1)N2C(=O)C=C(C2=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
1.6825
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
    4.5667   -0.0664   -2.0135 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.2004    0.0814   -0.8940 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2379    0.4002    0.3865 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8963    0.4182    0.9669 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6059    0.6854    2.1625 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9754    0.0779   -0.0677 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.7899   -0.1281   -1.2132 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3586   -0.4447   -2.3377 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4379   -0.0212    0.0608 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1641   -0.8418   -0.7778 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5516   -0.9608   -0.6801 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2421   -0.2493    0.2721 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5281    0.5741    1.1160 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1378    0.6883    1.0125 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1493    0.6195    0.9323 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6201   -1.4043   -1.5322 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1110   -1.6045   -1.3400 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3301   -0.3002    0.3976 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0752    1.1383    1.8706 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5822    1.3381    1.6785 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  2  0
  4  6  1  0
  6  7  1  0
  7  8  2  0
  6  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  2  0
  7  2  1  0
 14  9  1  0
  3 15  1  0
 10 16  1  0
 11 17  1  0
 12 18  1  0
 13 19  1  0
 14 20  1  0
M  END

Similar Monomers

Structure
Similarity
IUPAC name
MF
Copolymers