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
    1.3229    0.7186    2.3156 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7813    0.2913    1.2233 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1920    0.0499    0.9089 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3235   -0.3929   -0.3154 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9959   -0.4759   -0.9017 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6719   -0.8562   -2.0675 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0284   -0.0498    0.0551 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3865    0.0229   -0.1024 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0489    1.1614    0.3003 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4333    1.2040    0.1349 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1470    0.1618   -0.4096 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4660   -0.9833   -0.8132 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1051   -1.0321   -0.6529 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0375    0.2937   -0.6027 Br  0  0  0  0  0  0  0  0  0  0  0  0
    4.0390    0.2096    1.5827 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2406   -0.6688   -0.8606 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4997    1.9796    0.7261 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9284    2.1277    0.4670 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9910   -1.8376   -1.2506 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5520   -1.9239   -0.9647 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