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
   -1.0788   -1.5720   -0.1478 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3270   -0.3355   -0.0107 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7207    0.0824    0.0549 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0862    1.3207    0.1939 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7918   -0.9597   -0.0417 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2348    0.5437    0.0681 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.1428    0.2121    0.0144 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6711   -1.0468   -0.0234 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0547   -1.2864   -0.0837 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9553   -0.2492   -0.1077 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4329    1.0234   -0.0698 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0844    1.2604   -0.0110 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8363   -0.5695   -0.1897 Br  0  0  0  0  0  0  0  0  0  0  0  0
   -4.1402    1.6355    0.2434 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3845    2.1200    0.2699 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1054   -1.1040   -1.0930 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4422   -1.9044    0.4238 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7044   -0.6516    0.5167 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5193    1.5685    0.1820 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0403   -1.9011   -0.0037 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4434   -2.2852   -0.1126 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1700    1.8367   -0.0899 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7041    2.2621    0.0175 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