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
    1.6659    1.4523    1.6469 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9771    0.5103    0.8667 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2759   -0.0767    0.6225 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1544   -1.0489   -0.2795 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7750   -1.1749   -0.6950 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2673   -1.9710   -1.5229 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0552   -0.1905    0.0338 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3523    0.0684   -0.0413 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2367   -0.6042    0.7765 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6019   -0.3796    0.7313 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1307    0.5411   -0.1496 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2483    1.2147   -0.9682 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8870    0.9884   -0.9207 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0047    0.8396   -0.2016 Br  0  0  0  0  0  0  0  0  0  0  0  0
    4.1925    0.2529    1.1199 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9796   -1.6376   -0.6289 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7868   -1.3257    1.4621 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2692   -0.9242    1.3868 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6380    1.9527   -1.6789 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1874    1.5129   -1.5598 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