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
   -1.3165   -0.3972    2.3635 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7745   -0.1777    1.2147 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1776   -0.1057    0.8266 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2914    0.1446   -0.4743 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9221    0.2470   -0.9945 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6227    0.4776   -2.1913 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9912    0.0467    0.0561 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4250    0.0614   -0.0108 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1935    1.1690    0.2815 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5712    1.1492    0.2069 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2551    0.0098   -0.1669 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4897   -1.0992   -0.4597 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1108   -1.0853   -0.3869 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1602   -2.5127   -0.7633 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -4.0165   -0.2352    1.4956 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2358    0.2518   -1.0290 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6394    2.0654    0.5769 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1546    2.0377    0.4443 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3341   -0.0298   -0.2306 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0145   -2.0174   -0.7587 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