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
   -1.7086    0.4196    2.2083 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9610    0.0841    1.0235 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3308   -0.1238    0.5136 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2839   -0.4722   -0.7581 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8686   -0.5142   -1.1708 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4368   -0.8013   -2.2978 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0473   -0.1657   -0.0531 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3467   -0.0641    0.0050 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0066    0.5994    1.0292 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3871    0.7196    1.0959 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1488    0.1734    0.1245 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5504   -0.4964   -0.9120 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1799   -0.6044   -0.9567 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0628    0.3364    0.1961 Br  0  0  0  0  0  0  0  0  0  0  0  0
   -4.2339   -0.0093    1.1056 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1140   -0.7006   -1.4174 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4671    1.0611    1.8442 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8534    1.2510    1.9145 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1937   -0.9346   -1.6891 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7885   -1.1525   -1.8054 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