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
    1.6273    1.8944    1.1491 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8798    0.8650    0.4645 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2312    0.4658    0.0969 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2037   -0.6335   -0.6100 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7912   -1.0357   -0.7545 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3276   -2.0404   -1.3648 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9723   -0.0906   -0.0781 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4375   -0.0621    0.0552 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1554   -1.1353    0.5660 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5276   -1.0738    0.6820 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1942    0.0668    0.2860 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5193    1.1576   -0.2276 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1438    1.0575   -0.3282 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2015    2.5745   -1.0428 Br  0  0  0  0  0  0  0  0  0  0  0  0
    4.1337    0.9924    0.3631 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9941   -1.2183   -1.0516 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5806   -2.0125    0.8641 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0740   -1.9151    1.0808 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2813    0.0862    0.3897 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0458    2.0573   -0.5398 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