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
    4.6711    0.4218   -1.5697 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.1997   -0.1280   -0.7595 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0727   -1.1723    0.0388 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7091   -1.3219    0.5255 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2104   -2.1831    1.2935 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9459   -0.2670   -0.0343 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.8807    0.4833   -0.8414 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5551    1.5097   -1.5009 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4215    0.0570    0.1135 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9246    0.7545    1.1854 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2640    1.0655    1.3104 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1250    0.6599    0.3224 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6667   -0.0389   -0.7661 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2983   -0.3407   -0.8663 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8736   -1.8398    0.3057 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2700    1.0857    1.9773 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6826    1.6139    2.1447 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1824    0.8889    0.3878 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3334   -0.3580   -1.5415 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9498   -0.8905   -1.7253 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