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
    1.4148    0.3201   -2.3426 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7976    0.1644   -1.1627 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1789    0.1405   -0.7074 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2134   -0.0454    0.6136 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8674   -0.1567    1.1219 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4578   -0.3371    2.3121 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9965   -0.0201   -0.0246 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4170   -0.0683    0.0229 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1265   -1.1146    0.5677 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5193   -1.1216    0.5937 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2021   -0.0737    0.0704 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5303    0.9774   -0.4764 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1429    0.9787   -0.4993 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2716    2.4670   -1.2725 Br  0  0  0  0  0  0  0  0  0  0  0  0
    4.0738    0.2502   -1.2965 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0991   -0.1066    1.2299 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5405   -1.9337    0.9761 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9652   -2.0025    1.0500 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2996   -0.1197    0.1114 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0843    1.8015   -0.8874 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