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
    1.3317    2.1485    1.3136 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8073    1.1553    0.7236 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2277    0.8612    0.5636 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3469   -0.2694   -0.1135 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0003   -0.7769   -0.4337 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7128   -1.8243   -1.0659 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0507    0.1287    0.0991 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3591   -0.0286   -0.0089 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1827    1.0787   -0.1338 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5549    0.9497   -0.2421 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1689   -0.2856   -0.2316 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3619   -1.3968   -0.1081 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9860   -1.2593    0.0005 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0629   -0.4737   -0.3811 Br  0  0  0  0  0  0  0  0  0  0  0  0
    4.0734    1.4595    0.9316 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2263   -0.8126   -0.4296 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6957    2.0531   -0.1407 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1905    1.8201   -0.3413 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8429   -2.3729   -0.0972 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3716   -2.1549    0.0954 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