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
    1.4929    2.4310    0.0377 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9074    1.2423   -0.0618 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2949    0.7683   -0.1874 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2929   -0.5575   -0.2642 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9120   -1.0150   -0.1945 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5480   -2.2203   -0.2412 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0504    0.1213   -0.0678 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3650    0.0209    0.0254 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0249    0.0898    1.2316 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3825    0.0001    1.3528 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1510   -0.1671    0.2246 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5225   -0.2398   -1.0144 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1450   -0.1464   -1.1003 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0556   -0.2986    0.3237 Br  0  0  0  0  0  0  0  0  0  0  0  0
    4.1417    1.4528   -0.2063 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1680   -1.1865   -0.3616 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4421    0.2209    2.1313 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9265    0.0491    2.3003 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1522   -0.3673   -1.8731 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6410   -0.1980   -2.0549 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