Monomers

N-(4-Bromophenyl)methacrylamide

Identifiers

IUPAC name
N-(4-bromophenyl)-2-methylprop-2-enamide
InchI
InChI=1S/C10H10BrNO/c1-7(2)10(13)12-9-5-3-8(11)4-6-9/h3-6H,1H2,2H3,(H,12,13)
InchI Key
SLCQGECCJKYUCZ-UHFFFAOYSA-N
SMILES
O=C(C(=C)C)Nc1ccc(cc1)Br
Canonical SMILES
CC(=C)C(=O)NC1=CC=C(C=C1)Br
Isomeric SMILES
CC(=C)C(=O)NC1=CC=C(C=C1)Br
Resources
cid=

Structures

2D Structure
3D Structure

Molecular Formula and Computed Descriptors

Molecular Formula
C10H10BrNO
Heavy Atom Count
13
Molecular Weight
240.1
Exact Molecular Weight
238.9946
Valence Electrons
68
Radical Electrons
0
tPSA
29.1
MolLogP
2.9637
H Bond Acceptors
1
H Bond Donors
1
Aliphatic Carbocycles
0
Aromatic Carbocycles
1
Aliphatic Heterocycles
0
Aromatic Heterocycles
0
Aliphatic Rings
0
Aromatic Rings
1

MOL File


     RDKit          3D

 23 23  0  0  0  0  0  0  0  0999 V2000
   -0.9692   -1.1782    1.0349 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2599   -0.3791    0.0775 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6475   -0.3570   -0.3902 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9954    0.4350   -1.3583 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6308   -1.2764    0.2901 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2338    0.4142   -0.4525 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.0944    0.3488    0.0269 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9125    1.4702   -0.2171 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2056    1.4579    0.1963 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7812    0.3995    0.8516 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0057   -0.7017    1.0995 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6784   -0.7017    0.6804 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5889    0.4385    1.4049 Br  0  0  0  0  0  0  0  0  0  0  0  0
   -2.3145    1.0860   -1.8450 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0223    0.4402   -1.6924 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7950   -2.1796   -0.3551 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5735   -0.6958    0.4307 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2119   -1.6124    1.2630 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4632    1.0961   -1.2556 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4806    2.3314   -0.7388 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8312    2.3185    0.0083 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4170   -1.5509    1.6093 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1218   -1.6035    0.8871 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  2  3
  3  5  1  0
  2  6  1  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  2  0
 10 13  1  0
 12  7  1  0
  4 14  1  0
  4 15  1  0
  5 16  1  0
  5 17  1  0
  5 18  1  0
  6 19  1  0
  8 20  1  0
  9 21  1  0
 11 22  1  0
 12 23  1  0
M  END

Similar Monomers

Structure
Similarity
IUPAC name
MF
Copolymers