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
   -0.8027    1.5265   -1.2897 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2535    0.6988   -0.4656 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6808    0.6026   -0.1772 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5037    1.4102   -0.8046 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2053   -0.3698    0.7905 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3629   -0.1699    0.2083 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.0320   -0.2122    0.0518 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7276   -1.1539    0.8232 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0923   -1.3019    0.7683 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8443   -0.5086   -0.0694 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1928    0.4138   -0.8292 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7953    0.5489   -0.7577 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7403   -0.6665   -0.1897 Br  0  0  0  0  0  0  0  0  0  0  0  0
   -3.1486    2.1333   -1.5192 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5574    1.3601   -0.6110 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1248   -1.4118    0.3967 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2524   -0.1985    1.0432 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6250   -0.3532    1.7394 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8338   -0.8540    0.9031 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2072   -1.8099    1.5016 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6212   -2.0254    1.3617 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7475    1.0579   -1.5014 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3503    1.2836   -1.3734 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