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
   -1.1546   -1.3704   -0.7319 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3490   -0.2380   -0.2068 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7126    0.2590   -0.0571 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0280    1.4070    0.4677 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8173   -0.6100   -0.5392 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2040    0.4778    0.2051 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.1455    0.0832    0.1031 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6361   -1.0728   -0.4131 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9917   -1.3910   -0.4787 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8939   -0.4717    0.0128 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4609    0.7223    0.5506 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1148    0.9787    0.5876 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7524   -0.8703   -0.0592 Br  0  0  0  0  0  0  0  0  0  0  0  0
   -2.2687    2.0701    0.8302 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0353    1.7447    0.5643 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4380   -1.3438   -1.2761 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2393   -1.1122    0.3714 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5534    0.0569   -1.0300 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4196    1.4299    0.6433 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9751   -1.8017   -0.7994 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2721   -2.3382   -0.9093 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1692    1.4529    0.9407 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8080    1.9374    1.0219 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