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

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
   -1.5989    2.0648    0.7117 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8870    0.8853    0.3795 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2594    0.3965    0.3407 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1909   -0.8665   -0.0443 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8134   -1.2796   -0.2764 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3781   -2.4005   -0.6466 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9890   -0.1713   -0.0087 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4231   -0.0008   -0.0685 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0728    0.3562   -1.2299 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4314    0.5260   -1.3290 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2217    0.3330   -0.2067 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6098   -0.0305    0.9968 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2343   -0.1916    1.0523 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3796   -0.6820    2.6658 Br  0  0  0  0  0  0  0  0  0  0  0  0
   -4.1848    0.9416    0.5771 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0583   -1.4833   -0.1612 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4933    0.5144   -2.1252 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9434    0.8087   -2.2465 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3066    0.4582   -0.2417 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2437   -0.1786    1.8610 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