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
   -1.7357    2.2144    0.3927 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9730    0.9889    0.1608 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3234    0.4416    0.0407 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2290   -0.8551   -0.2001 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8142   -1.2282   -0.2512 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3871   -2.3749   -0.4606 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0183   -0.0487   -0.0202 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3931    0.0349    0.0097 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0124    1.2334   -0.2560 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3902    1.3024   -0.2284 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1424    0.1799    0.0629 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5423   -1.0392    0.3349 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1564   -1.0974    0.3042 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0512    0.3185    0.0818 Br  0  0  0  0  0  0  0  0  0  0  0  0
   -4.2471    1.0352    0.1383 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0951   -1.5217   -0.3382 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4199    2.1059   -0.4817 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8353    2.2607   -0.4422 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1745   -1.8865    0.5568 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7051   -2.0640    0.5200 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