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
   -1.5497    1.1873    1.9144 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9212    0.6580    0.8368 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2860    0.5427    0.3376 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2101   -0.0756   -0.8159 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8389   -0.4083   -1.1626 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4265   -1.0053   -2.2067 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0215    0.0646   -0.1001 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3950   -0.0358    0.0018 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9836   -1.2823   -0.0268 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3609   -1.3689    0.0732 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1446   -0.2274    0.2003 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5215    0.9997    0.2251 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1326    1.1265    0.1266 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0338   -0.2824    0.3411 Br  0  0  0  0  0  0  0  0  0  0  0  0
   -4.1909    0.9050    0.8364 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0928   -0.3042   -1.4298 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3854   -2.1749   -0.1249 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8499   -2.3383    0.0534 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0814    1.9157    0.3218 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6488    2.1038    0.1471 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