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
    4.6298   -1.6994    0.3289 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.2047   -0.7796   -0.0781 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1876    0.2628   -0.8836 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7999    0.7495   -0.9624 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3580    1.7304   -1.6287 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9643   -0.0735   -0.1436 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.8498   -1.0363    0.4133 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5254   -1.9604    1.2005 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4333    0.0479    0.0595 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3100   -0.1811   -0.9815 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6862   -0.0591   -0.7869 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2112    0.2936    0.4503 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3362    0.5245    1.4988 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9951    0.3952    1.2694 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0360    0.7032   -1.4084 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8910   -0.4537   -1.9344 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3609   -0.2423   -1.6161 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2627    0.3998    0.6450 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7482    0.8008    2.4643 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3207    0.5778    2.0935 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