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
    1.2805   -2.3452   -0.5553 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7905   -1.2060   -0.3621 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1875   -0.8156   -0.3562 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2906    0.4860   -0.1103 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9256    1.0245    0.0610 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6362    2.2275    0.3071 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9900   -0.0345   -0.0969 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4299    0.0077   -0.0198 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2466   -0.4573   -1.0300 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6219   -0.4062   -0.9373 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2496    0.1149    0.1750 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4385    0.5820    1.1893 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0449    0.5304    1.0962 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0274    1.1903    2.5223 Br  0  0  0  0  0  0  0  0  0  0  0  0
    4.0035   -1.5065   -0.5301 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1830    1.0924   -0.0366 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7580   -0.8725   -1.9193 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2673   -0.7753   -1.7390 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3332    0.1630    0.2635 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9250    1.0005    2.0785 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