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
    4.8114    1.2867    0.7053 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.2773    0.5053    0.2930 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2032   -0.6543   -0.3429 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7935   -0.9749   -0.5078 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2969   -1.9790   -1.0574 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9876    0.0709    0.0722 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.9343    1.0040    0.5776 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6831    2.0791    1.1667 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4324    0.0689    0.0940 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1316   -0.6861    1.0283 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5070   -0.7531    1.0570 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2783   -0.0554    0.1389 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5995    0.7019   -0.7965 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2108    0.7603   -0.8154 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0565   -1.2731   -0.6904 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5245   -1.2376    1.7610 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0470   -1.3531    1.7920 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3623   -0.1121    0.1700 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2262    1.2344   -1.4990 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7240    1.3674   -1.5648 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