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
    1.5677    2.1577    0.5790 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9328    0.9741    0.3507 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3328    0.4842    0.3599 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2845   -0.8241    0.0712 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8936   -1.2164   -0.1273 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4862   -2.3811   -0.4118 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0461   -0.0912    0.0467 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3620   -0.0145   -0.0556 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0979    0.6482    0.9302 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4788    0.7480    0.8705 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1826    0.1900   -0.1751 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4665   -0.4734   -1.1655 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1009   -0.5593   -1.0856 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0701    0.3039   -0.2973 Br  0  0  0  0  0  0  0  0  0  0  0  0
    4.1678    1.1266    0.5677 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1904   -1.4115    0.0182 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5214    1.0722    1.7367 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0123    1.2677    1.6459 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0247   -0.9153   -1.9909 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5847   -1.0858   -1.8678 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