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
   -1.5080    2.0169   -1.1452 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8731    0.9578   -0.5762 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2577    0.4901   -0.3845 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2136   -0.6677    0.2595 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8175   -1.0155    0.5204 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3945   -2.0445    1.1115 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9766    0.0095   -0.0068 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4429    0.0234    0.0547 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1247   -0.1126    1.2589 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5035   -0.0969    1.2931 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2030    0.0572    0.1041 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5574    0.1953   -1.1119 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1593    0.1751   -1.1116 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2747    0.3432   -2.6116 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -4.1509    1.0170   -0.7201 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0450   -1.2984    0.5686 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5463   -0.2304    2.1643 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0618   -0.2014    2.2196 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2775    0.0654    0.1595 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0858    0.3165   -2.0464 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