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
   -1.3887    0.0878   -2.4628 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8141   -0.0570   -1.2941 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1787   -0.2190   -0.8304 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2306   -0.3441    0.4807 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8729   -0.2698    0.9677 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5413   -0.3523    2.1814 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9785   -0.0887   -0.1515 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4344    0.0205   -0.0179 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2393   -1.0888   -0.1767 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6206   -1.0079   -0.0522 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2496    0.1861    0.2355 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4381    1.2915    0.3930 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0575    1.2194    0.2702 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0653    2.7450    0.4856 Br  0  0  0  0  0  0  0  0  0  0  0  0
   -4.0636   -0.2386   -1.4612 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1361   -0.4768    1.0616 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7551   -2.0478   -0.4062 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2479   -1.8828   -0.1787 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3298    0.2614    0.3357 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8974    2.2620    0.6202 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