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

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
    1.0212   -1.1131    1.2924 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3254   -0.3685    0.3430 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7413   -0.1652    0.0884 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6491   -0.7431    0.8291 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1406    0.7096   -1.0268 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3090    0.2296   -0.4238 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0841    0.0965   -0.2636 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9113    0.8879   -1.0439 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2649    0.7790   -0.9207 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8748   -0.0951   -0.0424 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0530   -0.8796    0.7309 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6586   -0.7758    0.6123 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7610   -0.2270    0.1098 Br  0  0  0  0  0  0  0  0  0  0  0  0
    4.7104   -0.6138    0.6677 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3829   -1.3969    1.6627 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2033    1.0195   -0.9781 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9550    0.1462   -1.9701 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5365    1.6464   -0.9783 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6700    0.8616   -1.2277 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5130    1.6057   -1.7641 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9317    1.4002   -1.5331 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4923   -1.5720    1.4263 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1001   -1.4321    1.2530 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