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
    1.5377    2.3325    0.1431 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9387    1.1449   -0.0045 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3005    0.6980   -0.1040 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2909   -0.6147   -0.2501 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9022   -1.1025   -0.2529 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5250   -2.2998   -0.3702 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0671    0.0336   -0.0958 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3655    0.0071   -0.0339 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1016   -1.0280   -0.5920 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4705   -1.0624   -0.5259 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1656   -0.0471    0.1117 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4526    0.9884    0.6724 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0654    1.0074    0.5954 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0897   -0.0646    0.2144 Br  0  0  0  0  0  0  0  0  0  0  0  0
    4.1954    1.3424   -0.0632 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1799   -1.2217   -0.3505 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6026   -1.8452   -1.1082 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0575   -1.8806   -0.9619 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9907    1.7711    1.1681 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5756    1.8410    1.0497 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