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
    1.6365    1.8231    1.4098 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9427    0.8782    0.6386 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3338    0.5483    0.2990 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2855   -0.4753   -0.5203 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8849   -0.8817   -0.7708 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5339   -1.8294   -1.5101 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0410   -0.0071   -0.0242 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3794   -0.0219    0.0238 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0663    0.5579    1.0635 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4583    0.5697    1.1152 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2044   -0.0098    0.1067 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5219   -0.5938   -0.9409 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1237   -0.6006   -0.9828 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1262    0.0163    0.1533 Br  0  0  0  0  0  0  0  0  0  0  0  0
    4.2546    1.0280    0.6267 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1666   -0.9451   -0.9456 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4920    1.0178    1.8572 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9882    1.0331    1.9493 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0929   -1.0514   -1.7368 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6262   -1.0563   -1.8116 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