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
    4.8583   -0.9909   -0.5024 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.3107   -0.1973   -0.2644 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1313    1.0843   -0.0426 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6998    1.3708    0.1044 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2130    2.4996    0.3228 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9794    0.1652   -0.0420 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.9746   -0.8334   -0.2747 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8072   -2.0522   -0.4621 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4471   -0.0495    0.0232 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2860    1.0003    0.2463 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6816    0.8426    0.3184 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2102   -0.4164    0.1574 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3956   -1.5036   -0.0699 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0281   -1.2856   -0.1306 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9374    1.8324    0.0230 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9408    2.0049    0.3801 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3524    1.6666    0.4944 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2988   -0.5246    0.2161 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8616   -2.4646   -0.1884 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4096   -2.1484   -0.3091 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