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

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
    1.2518    0.4340    2.5974 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7991    0.1972    1.4859 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2242    0.0984    1.1590 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3271   -0.1639   -0.1346 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9711   -0.2510   -0.7192 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7193   -0.4891   -1.9311 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0233   -0.0213    0.3129 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3836   -0.0199    0.1407 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1613   -1.1006    0.5156 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5397   -1.0835    0.3529 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1070    0.0543   -0.1982 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3405    1.1435   -0.5776 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9925    1.1130   -0.4129 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0106    0.0919   -0.4277 Br  0  0  0  0  0  0  0  0  0  0  0  0
    4.0482    0.2252    1.8772 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2756   -0.2896   -0.6489 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6888   -1.9758    0.9422 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1514   -1.9320    0.6445 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8839    1.9933   -1.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3803    1.9759   -0.7158 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