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
    1.6771    0.6447    2.1495 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9447    0.3215    0.9694 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2680    0.1962    0.3755 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1776   -0.1636   -0.8897 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7398   -0.2989   -1.2067 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3468   -0.6342   -2.3466 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9843    0.0110   -0.0242 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4337   -0.0122    0.0504 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1371   -1.1407   -0.3588 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5036   -1.1770   -0.2928 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2562   -0.1094    0.1778 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5603    1.0055    0.5820 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1736    1.0514    0.5189 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2364    2.6114    1.0879 Br  0  0  0  0  0  0  0  0  0  0  0  0
    4.1799    0.3852    0.9388 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0183   -0.3249   -1.5541 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5377   -1.9809   -0.7285 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0431   -2.0545   -0.6119 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3369   -0.1802    0.2123 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1180    1.8496    0.9509 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