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
   -0.8044   -1.7419   -0.3093 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2284   -0.5853   -0.0800 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6762   -0.3312   -0.0452 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2386    0.8230    0.1820 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5894   -1.5062   -0.2936 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3027    0.4382    0.1378 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.1066    0.3530    0.1367 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8281   -0.7718   -0.0820 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2180   -0.7711   -0.0661 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8873    0.4131    0.1803 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2012    1.5778    0.4075 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8364    1.5231    0.3810 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7959    0.3552    0.1902 Br  0  0  0  0  0  0  0  0  0  0  0  0
   -2.6913    1.7055    0.3669 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3121    0.9014    0.1855 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1345   -2.2188   -0.9955 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8264   -1.9664    0.6991 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5456   -1.1358   -0.7155 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7395    1.3986    0.3272 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3668   -1.7127   -0.2769 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7719   -1.6789   -0.2429 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7647    2.4768    0.5952 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3120    2.4545    0.5629 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