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
   -1.1440   -1.2061    0.9039 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3436   -0.2020    0.1333 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7388    0.1617   -0.1636 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0072    1.1648   -0.9344 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8024   -0.6833    0.4684 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2273    0.4874   -0.3790 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.1233    0.1657   -0.1226 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1318    1.0914   -0.4512 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4558    0.8527   -0.2526 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8815   -0.3313    0.2909 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9393   -1.2633    0.6267 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5782   -1.0049    0.4167 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7401   -0.7049    0.5867 Br  0  0  0  0  0  0  0  0  0  0  0  0
   -2.2581    1.7665   -1.3845 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0411    1.4174   -1.1414 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6008   -0.6169    1.5742 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6635   -1.7470    0.1990 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8047   -0.2923    0.2934 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4065    1.3313   -1.0252 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8004    2.0314   -0.8815 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2278    1.5799   -0.5122 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2460   -2.2003    1.0547 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9140   -1.7979    0.7002 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