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
   -1.4576   -0.4552   -2.2701 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8521   -0.1909   -1.1173 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2435   -0.0483   -0.7116 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2454    0.2325    0.5881 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8687    0.2889    1.0994 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5274    0.5354    2.3050 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9985    0.0204    0.0143 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4232   -0.0342    0.0195 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0870   -1.2356    0.1480 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4588   -1.3000    0.1517 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2506   -0.1762    0.0282 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5816    1.0273   -0.1007 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2026    1.0951   -0.1046 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4088    2.6402   -0.2698 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -4.1211   -0.1515   -1.3451 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0826    0.4037    1.2345 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4660   -2.1168    0.2460 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9704   -2.2541    0.2558 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3347   -0.1984    0.0289 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2132    1.9177   -0.2003 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