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
    0.8690    0.2606   -2.0164 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2533    0.2195   -0.8264 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6935    0.3979   -0.5124 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5179    0.5938   -1.5081 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1864    0.3566    0.8830 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3372    0.0051    0.2322 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0368   -0.1839    0.0849 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6510   -0.4874   -1.0981 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0490   -0.6489   -1.1982 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8318   -0.5023   -0.0914 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2457   -0.1963    1.1203 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8787   -0.0420    1.1991 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7218   -0.7000   -0.1258 Br  0  0  0  0  0  0  0  0  0  0  0  0
    3.1384    0.6203   -2.5110 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5916    0.7286   -1.2964 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4975    0.9194    1.5790 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2130    0.7690    0.9363 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2144   -0.6955    1.2800 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7226   -0.0203    1.2361 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0931   -0.6307   -2.0154 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5071   -0.8884   -2.1465 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8408   -0.0749    2.0115 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3789    0.2000    2.1337 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