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
    1.4201    1.9309    1.2532 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8404    0.8858    0.7122 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2100    0.3885    0.6490 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2124   -0.7598   -0.0233 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8252   -1.0688   -0.4364 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5123   -2.0974   -1.0935 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9701   -0.0331    0.0288 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4248    0.0694   -0.1428 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9992    1.2234   -0.6551 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3661    1.3098   -0.8194 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1820    0.2557   -0.4802 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6005   -0.8779    0.0246 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2445   -0.9946    0.2001 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5647   -2.6261    0.9120 Br  0  0  0  0  0  0  0  0  0  0  0  0
    4.0591    0.9127    1.0954 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0998   -1.3426   -0.2146 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4117    2.0849   -0.9409 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8495    2.1911   -1.2172 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2587    0.2659   -0.5878 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2479   -1.7181    0.2897 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