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
   -1.1889    1.2876   -0.8055 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3322    0.2804   -0.0491 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6841   -0.1102    0.3844 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9639   -1.1265    1.1622 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8290    0.7073   -0.0936 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1662   -0.4076    0.3309 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.1695   -0.1078   -0.0292 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6117    1.0134   -0.6689 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9449    1.1876   -0.9806 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8544    0.2215   -0.6457 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4527   -0.9194   -0.0026 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1357   -1.0768    0.2977 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6755    0.4642   -1.0739 Br  0  0  0  0  0  0  0  0  0  0  0  0
   -3.9712   -1.3906    1.4654 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1666   -1.7450    1.5309 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4693    1.7099   -0.3449 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5922    0.7431    0.7371 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2983    0.2856   -0.9996 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3459   -1.2477    0.9706 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9139    1.7752   -0.9281 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2519    2.1115   -1.4983 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1947   -1.6764    0.2550 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8028   -1.9792    0.8079 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