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
    1.1265    1.3267   -0.8152 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3004    0.2185   -0.2442 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6971   -0.1880   -0.1186 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0288   -1.3150    0.4525 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7942    0.6905   -0.6492 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2250   -0.5348    0.2191 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1332   -0.1647    0.1173 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1311   -1.1267    0.3793 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4696   -0.8372    0.3154 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9145    0.4164   -0.0100 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9637    1.3682   -0.2685 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5868    1.0759   -0.2041 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7892    0.7864   -0.0904 Br  0  0  0  0  0  0  0  0  0  0  0  0
    2.3118   -1.9909    0.8526 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0781   -1.6170    0.5450 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4920    1.7368   -0.4305 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9144    0.5852   -1.7290 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7314    0.5030   -0.0952 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4633   -1.4556    0.6834 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7715   -2.1226    0.6374 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2261   -1.6100    0.5254 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2832    2.3658   -0.5278 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8943    1.8890   -0.4129 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