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
    1.0726    2.4810   -0.5474 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6343    1.3568   -0.4597 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0455    1.0237   -0.6034 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2529   -0.2504   -0.4458 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9843   -0.9000   -0.1780 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7560   -2.1334    0.0329 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9790    0.1014   -0.1874 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4147   -0.0801    0.0284 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1730   -0.8189   -0.8547 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5306   -0.9949   -0.6400 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1526   -0.4264    0.4750 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3939    0.3151    1.3628 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0290    0.4800    1.1277 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0068    1.5087    2.3691 Br  0  0  0  0  0  0  0  0  0  0  0  0
    3.7917    1.7894   -0.8182 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2104   -0.7889   -0.4971 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7665   -1.2890   -1.7372 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1647   -1.5657   -1.3022 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2127   -0.5589    0.6524 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8823    0.7505    2.2228 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