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
    1.7516    1.7820    1.2608 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9474    0.7785    0.5316 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2607    0.2670    0.1608 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1329   -0.7964   -0.6123 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7021   -1.0358   -0.7874 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1704   -1.9569   -1.4574 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9595   -0.0549   -0.0750 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4528    0.0443   -0.0040 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2321    0.1159   -1.1635 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5991    0.2123   -1.1160 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1965    0.2371    0.1286 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4317    0.1664    1.2944 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0765    0.0712    1.2279 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0298   -0.0294    2.7950 Br  0  0  0  0  0  0  0  0  0  0  0  0
    4.2067    0.7122    0.4851 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9408   -1.3736   -1.0313 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7334    0.0941   -2.1306 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2042    0.2679   -2.0207 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2665    0.3111    0.2639 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9090    0.1869    2.2499 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