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
   -1.3240   -2.4654   -0.0300 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7641   -1.2854   -0.1696 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1761   -0.9538   -0.3137 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3211    0.3440   -0.4416 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0114    0.9476   -0.3889 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7337    2.1713   -0.4757 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0442   -0.0607   -0.2202 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3714    0.0620   -0.1148 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0452    1.1229   -0.6906 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4257    1.2383   -0.5792 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1369    0.2854    0.1129 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4718   -0.7706    0.6864 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1003   -0.8836    0.5746 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0287    0.3944    0.2967 Br  0  0  0  0  0  0  0  0  0  0  0  0
   -3.9803   -1.6978   -0.3106 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2758    0.8874   -0.5677 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4802    1.8842   -1.2429 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9450    2.0744   -1.0335 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0174   -1.5464    1.2468 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6081   -1.7483    1.0520 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