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
    1.5859   -1.9482   -1.0552 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8683   -0.8770   -0.4580 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2104   -0.3792   -0.2914 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1519    0.7656    0.3839 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7668    1.0922    0.7017 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4209    2.1279    1.3345 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9678    0.0431    0.1635 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4332   -0.0577    0.2350 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0191   -1.2132    0.7157 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3776   -1.3167    0.7882 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1629   -0.2551    0.3752 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6156    0.9173   -0.1111 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2409    0.9914   -0.1719 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4984    2.6225   -0.8424 Br  0  0  0  0  0  0  0  0  0  0  0  0
    4.1112   -0.8629   -0.6592 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0546    1.3168    0.6269 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4166   -2.0543    1.0407 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8489   -2.2315    1.1676 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2428   -0.3996    0.4530 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2816    1.7186   -0.4220 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