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
   -0.6740    0.2182    2.0230 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1953    0.0707    0.9016 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6757    0.0258    0.7975 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4059    0.1400    1.8705 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3115   -0.1495   -0.5353 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3888   -0.0508   -0.2441 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.0255   -0.0248   -0.2699 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8398    0.0518    0.8178 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2403    0.0770    0.6839 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8432    0.0249   -0.5554 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0402   -0.0523   -1.6567 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6828   -0.0758   -1.5101 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7396    0.0655   -0.6161 Br  0  0  0  0  0  0  0  0  0  0  0  0
   -2.9341    0.2687    2.8467 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4664    0.1148    1.8534 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1393   -1.1879   -0.8798 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8268    0.5827   -1.2455 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3762    0.0699   -0.4939 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9346   -0.1721   -1.1518 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4610    0.0927    1.8054 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8462    0.1392    1.5883 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5404   -0.0919   -2.6188 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0696   -0.1370   -2.3927 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