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
    1.4182   -2.0683    0.8132 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8393   -0.9671    0.3570 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2311   -0.5298    0.2616 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2540    0.6905   -0.2751 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8708    1.1039   -0.5544 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4941    2.2006   -1.0646 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9929    0.0681   -0.1590 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4348    0.0067   -0.2318 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2083    0.4301    0.8401 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5867    0.3957    0.8312 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2436   -0.0776   -0.2845 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4768   -0.4984   -1.3494 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0995   -0.4613   -1.3339 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1269   -1.0649   -2.8552 Br  0  0  0  0  0  0  0  0  0  0  0  0
    4.1207   -1.0930    0.5725 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1269    1.3047   -0.4847 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6677    0.8035    1.7190 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1341    0.7404    1.6989 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3375   -0.1136   -0.3121 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0323   -0.8705   -2.2244 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