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
    1.5120    1.3422   -1.9431 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8839    0.5963   -1.0039 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2351    0.1869   -0.6109 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1903   -0.6115    0.4425 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8016   -0.7910    0.8271 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3929   -1.4844    1.7817 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9934   -0.0454   -0.0653 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4222    0.0306   -0.0109 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1785   -0.3144   -1.1061 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5495   -0.2587   -1.1029 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2129    0.1565    0.0319 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4881    0.5127    1.1551 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1195    0.4467    1.1219 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1099    0.9279    2.6431 Br  0  0  0  0  0  0  0  0  0  0  0  0
    4.1497    0.5022   -1.1225 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0602   -1.0420    0.9144 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6786   -0.6413   -2.0020 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0843   -0.5450   -2.0008 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3134    0.2025    0.0365 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0621    0.8291    2.0141 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