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
    4.7985   -1.1411   -0.3109 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.2566   -0.3234   -0.2094 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1509    0.9917   -0.1716 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7307    1.3304   -0.0872 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3014    2.5132   -0.0368 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9600    0.1296   -0.0736 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.9189   -0.9271   -0.1520 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7236   -2.1783   -0.1736 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4408   -0.0005    0.0020 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9990   -1.2089    0.3567 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3643   -1.3591    0.4418 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2469   -0.3196    0.1791 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6793    0.8928   -0.1774 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3006    1.0320   -0.2593 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9649    1.7304   -0.1939 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4239   -2.0973    0.5915 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8039   -2.3016    0.7172 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3154   -0.4666    0.2562 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3387    1.7034   -0.3821 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8927    2.0001   -0.5451 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