Monomers

1-(2-bromophenyl)-1H-pyrrole-2,5-dione

Identifiers

IUPAC name
1-(2-bromophenyl)pyrrole-2,5-dione
InchI
InChI=1S/C10H6BrNO2/c11-7-3-1-2-4-8(7)12-9(13)5-6-10(12)14/h1-6H
InchI Key
ZTHZEDRPKCLGAR-UHFFFAOYSA-N
SMILES
O=C1C=CC(=O)N1c1ccccc1Br
Canonical SMILES
C1=CC=C(C(=C1)N2C(=O)C=CC2=O)Br
Isomeric SMILES
C1=CC=C(C(=C1)N2C(=O)C=CC2=O)Br
Resources
cid=

Structures

2D Structure
3D Structure

Molecular Formula and Computed Descriptors

Molecular Formula
C10H6BrNO2
Heavy Atom Count
14
Molecular Weight
252.067
Exact Molecular Weight
250.9582
Valence Electrons
70
Radical Electrons
0
tPSA
37.38
MolLogP
1.8785
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
   -1.1632    2.4129   -0.4730 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7313    1.2940   -0.3371 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1592    0.9713   -0.4035 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2688   -0.3235   -0.2001 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9626   -0.9258    0.0081 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7480   -2.1428    0.2250 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9753    0.0920   -0.0766 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4297   -0.0292    0.0597 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1154    0.8078    0.9239 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4969    0.7014    1.0724 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1926   -0.2358    0.3625 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5068   -1.0775   -0.5058 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1338   -0.9735   -0.6550 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2986   -2.1750   -1.8696 Br  0  0  0  0  0  0  0  0  0  0  0  0
   -3.9442    1.7169   -0.5903 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1902   -0.8695   -0.1888 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5751    1.5512    1.4906 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0480    1.3427    1.7416 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2661   -0.3305    0.4630 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0797   -1.8071   -1.0471 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