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
    1.6748    0.0974    2.3114 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9354    0.0047    1.1009 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3187   -0.0770    0.5810 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2858   -0.1682   -0.7464 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8810   -0.1500   -1.1492 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4541   -0.2179   -2.3270 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0505   -0.0433   -0.0066 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3603    0.0047    0.0170 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0557    1.1991   -0.1070 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4308    1.2641   -0.0861 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1760    0.1243    0.0613 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5190   -1.0696    0.1860 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1427   -1.1458    0.1664 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0910    0.2256    0.0892 Br  0  0  0  0  0  0  0  0  0  0  0  0
    4.2419   -0.0664    1.1691 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1251   -0.2424   -1.4186 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4344    2.0892   -0.2229 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9495    2.2232   -0.1866 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1493   -1.9577    0.3020 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6585   -2.0941    0.2661 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