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
   -4.7699    0.0779    1.3480 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -3.2950   -0.1301    0.4102 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1671   -0.5204   -0.8439 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7303   -0.5416   -1.1902 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3082   -0.8734   -2.3210 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9908   -0.1414   -0.0589 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9443    0.1232    0.9650 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6704    0.5036    2.1271 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4418    0.0022    0.0307 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0934    0.1422    1.2296 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4954    0.3186    1.2880 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2410    0.3551    0.1304 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6028    0.2155   -1.0758 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2235    0.0409   -1.1157 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9750   -0.7714   -1.4743 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5296    0.1102    2.1473 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9470    0.4210    2.2523 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3254    0.4843    0.1876 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1824    0.2399   -1.9746 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7687   -0.0563   -2.0618 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