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
   -1.2513    0.7874    2.2678 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6910    0.2505    1.2313 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1149   -0.0621    1.0256 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2548   -0.6224   -0.1638 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9310   -0.7069   -0.8020 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6763   -1.1761   -1.9250 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9574   -0.1565    0.0820 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4514   -0.0150   -0.0892 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2601   -1.1193   -0.3511 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6162   -0.9373   -0.5083 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1942    0.3108   -0.4131 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3734    1.3870   -0.1536 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0170    1.2167    0.0052 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1271    2.7171    0.3664 Br  0  0  0  0  0  0  0  0  0  0  0  0
   -3.9072    0.1441    1.7499 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2034   -0.9478   -0.5605 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8365   -2.0986   -0.4303 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2820   -1.7904   -0.7161 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2788    0.4374   -0.5410 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8049    2.3814   -0.0742 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