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
   -1.4736    2.2457   -0.6459 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8274    1.0523   -0.5124 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2023    0.6115   -0.6861 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2639   -0.6916   -0.4825 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9231   -1.1756   -0.1616 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5984   -2.3606    0.0935 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0323   -0.0851   -0.1827 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3688   -0.0396    0.0568 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9224    1.0368    0.7321 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2798    1.0880    0.9779 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1381    0.0902    0.5716 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5787   -0.9792   -0.1008 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2178   -1.0446   -0.3552 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0178    0.1848    0.9188 Br  0  0  0  0  0  0  0  0  0  0  0  0
   -4.0454    1.2352   -0.9363 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1862   -1.2872   -0.5484 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3167    1.8569    1.0805 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6881    1.9520    1.5038 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2220   -1.7775   -0.4344 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8024   -1.9125   -0.8889 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