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
   -1.7579    2.2829   -0.1153 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9735    1.0669    0.0636 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3183    0.4733    0.1102 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2303   -0.8272    0.3117 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8166   -1.1765    0.4107 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3810   -2.3617    0.6050 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0473    0.0063    0.2555 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3587    0.0501    0.2971 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0216    0.9044    1.1740 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3982    0.9501    1.2347 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1719    0.1454    0.4217 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5374   -0.7148   -0.4615 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1616   -0.7469   -0.5076 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0861    0.1742    0.4736 Br  0  0  0  0  0  0  0  0  0  0  0  0
   -4.2418    1.0084   -0.0021 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0440   -1.5617    0.3977 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3913    1.5161    1.7918 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9046    1.6104    1.9159 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0997   -1.3696   -1.1202 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6797   -1.4298   -1.2115 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