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
   -1.6711    2.3981   -0.5702 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9531    1.2919   -0.0151 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2578    0.8535    0.4777 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1347   -0.3524    0.9842 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7630   -0.7963    0.8670 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2713   -1.9147    1.2496 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0178    0.2590    0.2288 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3791    0.1816   -0.0565 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7540   -0.5650   -1.1671 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0970   -0.6997   -1.4997 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0491   -0.0863   -0.7178 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7134    0.6625    0.3929 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3579    0.7764    0.6956 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9242   -0.2470   -1.1326 Br  0  0  0  0  0  0  0  0  0  0  0  0
   -4.1825    1.4337    0.4279 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9482   -0.9568    1.4363 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0075   -1.0409   -1.7745 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3877   -1.2767   -2.3667 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4911    1.1375    0.9980 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0535    1.3428    1.5421 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