Monomers

N-(4-Bromophenyl)maleimide

Identifiers

IUPAC name
1-(4-bromophenyl)pyrrole-2,5-dione
InchI
InChI=1S/C10H6BrNO2/c11-7-1-3-8(4-2-7)12-9(13)5-6-10(12)14/h1-6H
InchI Key
FECSFBYOMHWJQG-UHFFFAOYSA-N
SMILES
O=C1C=CC(=O)N1c1ccc(cc1)Br
Canonical SMILES
C1=CC(=CC=C1N2C(=O)C=CC2=O)Br
Isomeric SMILES
C1=CC(=CC=C1N2C(=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
    1.7562   -2.1685   -0.6766 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0052   -1.0075   -0.2948 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3546   -0.4575   -0.0872 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2567    0.8134    0.3237 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8351    1.1479    0.4019 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3078    2.2453    0.7474 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0554   -0.0028    0.0110 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3692   -0.0445   -0.0354 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0982    0.7388   -0.9072 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4852    0.7015   -0.9448 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1912   -0.1298   -0.1021 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4565   -0.9134    0.7695 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0619   -0.8784    0.8101 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1128   -0.1997   -0.1316 Br  0  0  0  0  0  0  0  0  0  0  0  0
    4.2978   -0.9593   -0.2291 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0530    1.5140    0.5701 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5436    1.3915   -1.5674 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0712    1.3079   -1.6213 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9925   -1.5750    1.4392 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5395   -1.5240    1.5246 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
 11 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
 12 19  1  0
 13 20  1  0
M  END

Similar Monomers

Structure
Similarity
IUPAC name
MF
Copolymers