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
    1.1879    1.2595    2.0547 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7313    0.6222    1.1354 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1515    0.4186    0.8803 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2845   -0.3214   -0.2035 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9452   -0.6535   -0.7347 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6987   -1.3508   -1.7694 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9726   -0.0574    0.1112 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4475   -0.1021    0.0004 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2249   -1.1265    0.4534 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6096   -1.1255    0.3143 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1972   -0.0436   -0.3051 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4237    0.9993   -0.7685 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0711    0.9576   -0.6116 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0255    2.4345   -1.2742 Br  0  0  0  0  0  0  0  0  0  0  0  0
    3.9697    0.7995    1.4640 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2201   -0.6502   -0.6599 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7653   -1.9623    0.9306 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2391   -1.9226    0.6621 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2890   -0.0277   -0.4240 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8687    1.8525   -1.2556 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