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
    1.5033    2.0665    0.9316 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8746    0.9713    0.4393 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2592    0.5480    0.2692 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2549   -0.6717   -0.2862 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8677   -1.0831   -0.4964 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4551   -2.1557   -0.9918 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9972   -0.0524   -0.0411 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4260    0.0023   -0.0366 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1279    0.4644   -1.1337 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5190    0.5204   -1.1380 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2523    0.1141   -0.0412 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5554   -0.3477    1.0561 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1635   -0.4024    1.0573 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3305   -1.0008    2.4843 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.1435    1.1131    0.5408 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1453   -1.2303   -0.5250 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5766    0.7828   -1.9910 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0869    0.8775   -1.9857 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3438    0.1600   -0.0503 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1190   -0.6764    1.9382 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