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
   -1.0203   -2.0822   -1.2924 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6248   -1.1117   -0.7701 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0715   -0.8866   -0.7180 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3062    0.2503   -0.0812 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0091    0.8321    0.3197 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8314    1.8955    0.9373 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9699   -0.0311   -0.1185 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4379    0.0927    0.0297 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1443    0.9322   -0.8019 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5054    1.0417   -0.6445 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1837    0.3283    0.3303 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4710   -0.4985    1.1459 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0968   -0.6284    1.0093 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1664   -1.8022    2.1841 Br  0  0  0  0  0  0  0  0  0  0  0  0
   -3.8029   -1.5591   -1.1386 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2837    0.6793    0.1111 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6087    1.4810   -1.5538 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0940    1.6913   -1.2806 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2505    0.4468    0.4183 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9611   -1.0713    1.9139 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