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
    0.9084   -1.4174   -1.0038 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2634   -0.4906   -0.2715 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7089   -0.2093   -0.1717 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5482   -0.9562   -0.8645 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2477    0.8666    0.6664 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3251    0.2745    0.4458 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0746    0.1011    0.4346 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7295   -0.9301   -0.1891 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1260   -0.9925   -0.1407 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8777   -0.0526    0.5138 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2350    0.9961    1.1499 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8841    1.0456    1.0959 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7748   -0.2347    0.5168 Br  0  0  0  0  0  0  0  0  0  0  0  0
    4.6094   -0.8101   -0.8410 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1865   -1.7612   -1.4953 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3617    0.5461    1.7340 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2470    1.1615    0.2832 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5967    1.7737    0.7025 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7270    1.0384    1.0381 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2159   -1.7114   -0.7204 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5840   -1.8408   -0.6591 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8428    1.7282    1.6608 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3854    1.8751    1.5996 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