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
    1.3803   -0.9788    2.0207 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7955   -0.3550    0.9936 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1488    0.0157    0.6672 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2056    0.6571   -0.4808 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8503    0.7535   -1.0016 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4907    1.2937   -2.0716 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9800    0.1311   -0.0968 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4228   -0.0748   -0.0896 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9906   -1.3134   -0.3347 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3734   -1.5047   -0.3030 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2007   -0.4313   -0.0201 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6339    0.8040    0.2243 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2468    0.9872    0.1904 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4676    2.6909    0.5242 Br  0  0  0  0  0  0  0  0  0  0  0  0
    4.0074   -0.2060    1.2875 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1162    1.0254   -0.9180 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3118   -2.1280   -0.5517 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7944   -2.4649   -0.4945 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2819   -0.5655    0.0054 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2512    1.6637    0.4492 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