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
    1.3446   -2.3564   -0.4137 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7951   -1.1903   -0.2366 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1916   -0.7800   -0.1853 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2516    0.5263    0.0175 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9163    1.0853    0.1161 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5782    2.2947    0.3073 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0148   -0.0200   -0.0479 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4159    0.0516   -0.0248 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1333    0.8992   -0.8570 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5100    0.9655   -0.8334 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2331    0.1785    0.0326 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5290   -0.6717    0.8684 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1342   -0.7408    0.8466 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2350   -1.9298    2.0207 Br  0  0  0  0  0  0  0  0  0  0  0  0
    4.0309   -1.4829   -0.3025 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1553    1.0926    0.0981 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5681    1.5235   -1.5424 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0754    1.6234   -1.4789 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3162    0.2089    0.0738 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1281   -1.2776    1.5413 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