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
    4.6859    1.2706   -0.5569 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.2274    0.3495   -0.1764 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1809   -0.8854    0.2318 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7952   -1.2170    0.4135 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3697   -2.3248    0.8009 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9725   -0.0848    0.0847 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.8979    0.9250   -0.2956 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5583    2.0762   -0.6555 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4443    0.0157    0.1195 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1467    0.6154   -0.9069 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5185    0.7201   -0.8982 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2395    0.2181    0.1585 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5507   -0.3826    1.1892 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1637   -0.4857    1.1752 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0397   -1.5184    0.3946 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5452    0.9969   -1.7241 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0539    1.1903   -1.7072 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3320    0.2840    0.2002 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0928   -0.7960    2.0568 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6402   -0.9672    2.0041 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