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
   -1.9549   -1.4141   -1.5782 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1148   -0.5986   -0.6359 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3903   -0.1161   -0.0621 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1382    0.7294    0.9126 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6827    0.8513    1.0346 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1307    1.5947    1.8852 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0546    0.0212    0.0672 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3534   -0.0806   -0.0689 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1085   -0.9099    0.7480 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4865   -0.9689    0.5956 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1658   -0.2298   -0.3480 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4108    0.6055   -1.1719 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0411    0.6548   -1.0099 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0576   -0.2824   -0.5727 Br  0  0  0  0  0  0  0  0  0  0  0  0
   -4.3304   -0.4759   -0.4652 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8855    1.2361    1.5052 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5743   -1.4909    1.4913 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0632   -1.6153    1.2367 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9531    1.1914   -1.9167 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4679    1.2981   -1.6469 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