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
    0.9034    1.8501    0.5035 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2787    0.6715    0.3515 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7178    0.4071    0.4248 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5479    1.4014    0.6441 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2760   -0.9604    0.2580 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3316   -0.3259    0.1225 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0822   -0.1841    0.0321 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8556   -1.3353   -0.2023 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2154   -1.3142   -0.3068 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8713   -0.1067   -0.1770 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1630    1.0367    0.0511 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7852    0.9776    0.1513 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7755    0.0305   -0.3071 Br  0  0  0  0  0  0  0  0  0  0  0  0
    3.1514    2.3948    0.7659 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6099    1.2626    0.7069 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7033   -1.4690   -0.5427 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3275   -0.9257   -0.0905 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2519   -1.5095    1.2190 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7451   -1.3093    0.0038 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3479   -2.3027   -0.3077 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8141   -2.1887   -0.4858 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6831    2.0012    0.1551 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2515    1.8978    0.3319 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