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
   -0.9251    1.2381   -2.1309 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6228    0.7270   -1.2263 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0851    0.6588   -1.0965 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3674    0.0209    0.0277 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1377   -0.3699    0.7077 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9942   -0.9887    1.7963 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0387    0.0740   -0.0808 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3545   -0.0783    0.1786 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9026   -1.2069    0.7317 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2557   -1.3538    0.9831 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0677   -0.2886    0.6474 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5897    0.8697    0.0915 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2330    0.9595   -0.1365 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9450   -0.4603    0.9815 Br  0  0  0  0  0  0  0  0  0  0  0  0
   -3.7348    1.0872   -1.8468 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3778   -0.1651    0.3616 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2246   -2.0098    0.9749 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6718   -2.2559    1.4218 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2297    1.7028   -0.1713 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8092    1.8395   -0.5679 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