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
   -1.3755   -1.1001   -1.7983 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8463   -0.4827   -0.7870 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2498   -0.2422   -0.4629 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2679    0.4371    0.6787 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9215    0.6809    1.1662 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6113    1.2959    2.2188 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0361    0.1027    0.2440 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4009    0.0694    0.2732 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9708   -1.1728    0.0538 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3378   -1.3062    0.0647 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0924   -0.1676    0.2999 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5358    1.0750    0.5197 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1637    1.1759    0.5024 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0031   -0.3006    0.3295 Br  0  0  0  0  0  0  0  0  0  0  0  0
   -4.0745   -0.5810   -1.0796 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2063    0.7406    1.1400 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3699   -2.0483   -0.1285 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8271   -2.2521   -0.1010 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1809    1.9448    0.7004 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7069    2.1314    0.6713 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