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
    0.7886    1.1363    1.0339 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2289    0.3982    0.1146 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6940    0.3019   -0.1048 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2062   -0.4473   -1.0427 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5912    1.0969    0.7887 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3141   -0.3141   -0.6782 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1002   -0.3231   -0.5998 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8378   -1.3030   -1.2541 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1992   -1.3065   -1.1951 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8934   -0.3342   -0.4813 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1813    0.6335    0.1654 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8004    0.6206    0.0936 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7839   -0.3265   -0.3901 Br  0  0  0  0  0  0  0  0  0  0  0  0
    4.2898   -0.4781   -1.1562 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6701   -1.0610   -1.7435 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5266    1.3634    0.2725 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8100    0.5088    1.7128 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0639    2.0479    1.0119 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7090   -0.9339   -1.4467 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3126   -2.0526   -1.8037 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7694   -2.0701   -1.7053 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7172    1.4050    0.7311 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2970    1.4380    0.6301 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