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
   -1.6095   -1.6499    1.6736 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9092   -0.8920    0.7211 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2627   -0.6276    0.1915 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1624    0.2263   -0.8125 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7558    0.5661   -0.9962 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3300    1.3576   -1.8743 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9719   -0.1355   -0.0344 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4409   -0.0525    0.0895 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2622   -1.1404   -0.0600 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6334   -1.0175    0.0684 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1955    0.2126    0.3510 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3994    1.3218    0.5065 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0498    1.1696    0.3741 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0039    2.5531    0.5638 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -4.1958   -1.0400    0.5363 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0015    0.5931   -1.3830 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8435   -2.1061   -0.2800 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2650   -1.9077   -0.0571 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2700    0.2665    0.4433 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8428    2.3024    0.7315 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