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
   -1.0965   -1.4297    0.6541 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2968   -0.2986    0.1694 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6923    0.1093    0.0258 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0409    1.2749   -0.4704 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7666   -0.8243    0.4551 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2125    0.5194   -0.2102 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.1448    0.1947   -0.0968 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6161   -0.8836    0.5719 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0035   -1.1303    0.6168 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9006   -0.3046   -0.0010 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4246    0.7943   -0.6824 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0699    1.0151   -0.7134 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7933   -0.6569    0.0706 Br  0  0  0  0  0  0  0  0  0  0  0  0
   -4.1113    1.5280   -0.5547 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3902    2.0513   -0.8217 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1550   -0.4581    1.4288 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3653   -1.8458    0.6574 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5797   -0.8544   -0.3206 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4976    1.4813   -0.6212 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9896   -1.5859    1.0961 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3833   -1.9933    1.1515 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1597    1.4266   -1.1595 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7193    1.8708   -1.2458 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