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
    1.5002   -2.4199   -0.2298 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8586   -1.2561    0.0744 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2433   -0.8247    0.3236 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2979    0.4353    0.6233 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9140    0.9415    0.5925 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6483    2.1280    0.8421 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0245   -0.1068    0.2510 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3948   -0.0199    0.1007 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0654    1.0424    0.6686 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4482    1.1875    0.5251 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1472    0.2542   -0.1948 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4660   -0.8147   -0.7623 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0937   -0.9566   -0.6195 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0549    0.3972   -0.4059 Br  0  0  0  0  0  0  0  0  0  0  0  0
    4.0924   -1.4855    0.2587 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1989    0.9962    0.8467 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5782    1.8199    1.2572 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9870    2.0162    0.9496 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9930   -1.5678   -1.3284 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5495   -1.7665   -1.0411 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