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
    4.7348   -0.2176   -1.4169 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.2666    0.1513   -0.5544 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1718    0.9027    0.5155 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7684    0.9508    0.9160 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2991    1.5903    1.9186 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9784    0.1739    0.0197 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.9251   -0.3379   -0.9188 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7029   -1.0804   -1.9017 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4200   -0.0505    0.0349 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2453    0.4201    1.0304 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6169    0.2024    1.0438 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2145   -0.5097    0.0368 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4245   -0.9919   -0.9685 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0414   -0.7608   -0.9633 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9885    1.4209    1.0403 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8719    0.9812    1.8540 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2640    0.5799    1.8373 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2827   -0.6792    0.0454 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9131   -1.5525   -1.7582 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5412   -1.1931   -1.8108 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