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
    4.7486   -0.8834    0.7815 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.1973   -0.5065    0.0428 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0873   -0.2338   -1.2539 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6711    0.0231   -1.4810 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1405    0.3224   -2.5981 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9399   -0.1052   -0.2760 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.9258   -0.4516    0.7244 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6742   -0.6524    1.9248 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4412    0.0574   -0.0073 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1273    1.1650   -0.4396 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4831    1.3469   -0.1565 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1318    0.3797    0.5758 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4812   -0.7518    1.0308 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1278   -0.8803    0.7192 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8423   -0.1936   -2.0199 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5941    1.8931   -1.0027 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0171    2.2343   -0.5067 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1894    0.5056    0.8072 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0064   -1.4986    1.6042 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6277   -1.7703    1.0815 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