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
    1.2832    0.2333    2.4342 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7399    0.0922    1.2716 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1627   -0.0059    0.9710 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2647   -0.1452   -0.3379 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9479   -0.1473   -0.9633 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6685   -0.2595   -2.1830 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9778    0.0050    0.0732 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4367    0.0559   -0.0819 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0726    0.9625   -0.9058 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4493    1.0004   -1.0469 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2364    0.1055   -0.3454 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6065   -0.8003    0.4773 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2336   -0.8336    0.6142 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3720   -2.0947    1.7583 Br  0  0  0  0  0  0  0  0  0  0  0  0
    3.9749    0.0319    1.7113 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2160   -0.2427   -0.8494 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4287    1.6645   -1.4540 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9035    1.7433   -1.7168 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3111    0.1507   -0.4689 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1854   -1.5160    1.0423 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