Monomers

1-(2-Chlorophenyl)-1H-pyrrole-2,5-dione

Identifiers

IUPAC name
1-(2-chlorophenyl)pyrrole-2,5-dione
InchI
InChI=1S/C10H6ClNO2/c11-7-3-1-2-4-8(7)12-9(13)5-6-10(12)14/h1-6H
InchI Key
KPQOXMCRYWDRSB-UHFFFAOYSA-N
SMILES
O=C1C=CC(=O)N1c1ccccc1Cl
Canonical SMILES
C1=CC=C(C(=C1)N2C(=O)C=CC2=O)Cl
Isomeric SMILES
C1=CC=C(C(=C1)N2C(=O)C=CC2=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
1.7694
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
    1.1192    0.1158    2.5446 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6822    0.0919    1.4108 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0889    0.1393    1.0920 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2859    0.0916   -0.2304 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9713    0.0081   -0.8532 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7384   -0.0545   -2.0870 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9799    0.0085    0.1669 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4250   -0.0613   -0.0476 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0225   -1.1520   -0.6791 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3748   -1.2142   -0.8830 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1528   -0.1539   -0.4423 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6145    0.9514    0.1891 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2409    0.9701    0.3736 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5574    2.3845    1.1809 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.9085    0.2048    1.7945 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2506    0.1119   -0.7377 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3690   -1.9401   -0.9971 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8427   -2.0607   -1.3736 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2153   -0.2235   -0.6131 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2100    1.7823    0.5364 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  5  7  1  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  2  0
 13 14  1  0
  7  2  1  0
 13  8  1  0
  3 15  1  0
  4 16  1  0
  9 17  1  0
 10 18  1  0
 11 19  1  0
 12 20  1  0
M  END

Similar Monomers

Structure
Similarity
IUPAC name
MF
Copolymers