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
   -1.7754    2.1112    0.3512 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9409    0.8853    0.1923 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2715    0.2571    0.1436 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1088   -1.0597   -0.0354 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6643   -1.3357   -0.1102 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2189   -2.5011   -0.2768 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9440   -0.1149    0.0332 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4543    0.0407    0.0186 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2581   -0.6880    0.9067 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6257   -0.5375    0.8949 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1853    0.3395   -0.0027 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4008    1.0558   -0.8750 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0156    0.9201   -0.8815 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1265    1.8767   -2.0587 Br  0  0  0  0  0  0  0  0  0  0  0  0
   -4.2103    0.7749    0.2367 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9125   -1.7833   -0.1098 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8213   -1.3688    1.6038 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2924   -1.0772    1.5616 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2459    0.4712   -0.0289 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8736    1.7337   -1.5635 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