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
    1.6633    1.8535   -1.2499 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8911    0.8672   -0.4921 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2582    0.4823   -0.1012 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1965   -0.5911    0.7005 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7753   -0.9329    0.8499 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3558   -1.8957    1.5404 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9786   -0.0307    0.1138 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4420    0.0153   -0.0168 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1747    0.9943    0.6287 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5558    1.0563    0.5126 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2508    0.1375   -0.2551 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4957   -0.8275   -0.8865 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1303   -0.8976   -0.7791 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1199   -2.2731   -1.6830 Br  0  0  0  0  0  0  0  0  0  0  0  0
    4.1740    0.9666   -0.3967 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0644   -1.0719    1.1253 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6681    1.7425    1.2473 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1596    1.8116    1.0064 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3364    0.1622   -0.3627 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0238   -1.5687   -1.5020 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