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
   -1.0703    2.1246    1.2676 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6976    1.2038    0.6987 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1411    1.0659    0.5785 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3720   -0.0359   -0.0883 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1185   -0.7044   -0.4573 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9703   -1.7790   -1.0981 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0664    0.0889    0.0463 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3497   -0.0995   -0.0297 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0474   -0.8963    0.8506 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4242   -1.0754    0.7691 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1406   -0.4354   -0.2288 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4633    0.3693   -1.1235 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0808    0.5303   -1.0177 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0401   -0.6876   -0.3337 Br  0  0  0  0  0  0  0  0  0  0  0  0
   -3.8218    1.8046    1.0035 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3736   -0.3846   -0.3230 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4911   -1.4067    1.6438 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9826   -1.6958    1.4527 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0380    0.8544   -1.8883 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5739    1.1588   -1.7223 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