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
   -0.7637    1.4366    1.3568 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2330    0.5739    0.6017 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6966    0.3672    0.5209 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4809    1.1215    1.2694 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2162   -0.6607   -0.3814 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3884   -0.2275   -0.1946 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.0211   -0.1591   -0.2439 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7425    0.8633    0.2802 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1484    0.8649    0.2156 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8501   -0.1610   -0.3772 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1236   -1.2116   -0.9169 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7537   -1.2004   -0.8467 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7516   -0.0982   -0.4316 Br  0  0  0  0  0  0  0  0  0  0  0  0
   -3.0729    1.8714    1.9256 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5530    1.0018    1.2392 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2933   -0.8355   -0.2663 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0265   -0.3564   -1.4428 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6628   -1.6267   -0.2390 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8290   -0.9607   -0.8321 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2922    1.7178    0.7565 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6806    1.6963    0.6446 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6761   -2.0116   -1.3796 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1765   -2.0053   -1.2582 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