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
   -1.4940   -1.8290   -1.4191 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8580   -0.8753   -0.7140 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2287   -0.4634   -0.4395 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2200    0.5994    0.3567 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8314    0.9319    0.6403 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4757    1.8972    1.3721 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9658    0.0178   -0.0231 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4481   -0.0072   -0.0067 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1600    0.7707   -0.9239 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5418    0.7760   -0.9407 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2210    0.0022   -0.0389 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5026   -0.7603    0.8605 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1249   -0.7901    0.9058 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1862   -1.8706    2.1815 Br  0  0  0  0  0  0  0  0  0  0  0  0
   -4.1590   -0.9121   -0.8000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0690    1.1334    0.7344 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6643    1.3869   -1.6419 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0983    1.3772   -1.6488 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3200   -0.0044   -0.0374 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0343   -1.3804    1.5827 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