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
   -0.8995    1.8973   -0.3553 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2698    0.7253   -0.1700 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7199    0.4845   -0.0461 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5795    1.4750   -0.1305 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2331   -0.8809    0.1758 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3368   -0.3257   -0.0830 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.0798   -0.2118   -0.1870 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7849    0.9366   -0.3880 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1806    0.9932   -0.4829 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8686   -0.1891   -0.3643 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2067   -1.3747   -0.1609 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8410   -1.3803   -0.0748 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7719   -0.0913   -0.4967 Br  0  0  0  0  0  0  0  0  0  0  0  0
   -4.6308    1.2842   -0.0384 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2492    2.5065   -0.2948 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1866   -1.4976   -0.7606 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6135   -1.4534    0.9268 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2784   -0.8029    0.5333 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7758   -1.2825    0.0760 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2641    1.8674   -0.4826 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6920    1.9319   -0.6432 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7765   -2.2813   -0.0726 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3066   -2.3306    0.0885 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