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
   -0.9669    1.7896    0.3029 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2946    0.5995    0.1356 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7378    0.3022    0.1258 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5974    1.2593    0.2867 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1870   -1.0849   -0.0676 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3305   -0.3920   -0.0328 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.0574   -0.1817   -0.0284 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6978    0.9613    0.3823 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0850    1.1097    0.3446 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8756    0.0999   -0.1123 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2741   -1.0584   -0.5312 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9187   -1.1960   -0.4917 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7925    0.2988   -0.1667 Br  0  0  0  0  0  0  0  0  0  0  0  0
   -3.2568    2.2703    0.4273 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6469    1.0482    0.2803 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1936   -1.6329    0.8964 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5835   -1.6259   -0.8268 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2280   -1.0564   -0.4905 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6643   -1.3867   -0.1733 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1190    1.8112    0.7736 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5133    2.0430    0.6861 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9120   -1.8628   -0.8954 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4417   -2.1153   -0.8247 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