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
   -1.1833    1.4493   -0.3761 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3206    0.2511   -0.0453 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6800   -0.2187    0.1275 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9248   -1.4518    0.4714 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7982    0.7626   -0.1028 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2118   -0.5531    0.1371 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.1359   -0.1727   -0.0052 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1202   -1.1778   -0.0462 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4453   -0.8648   -0.1686 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8155    0.4547   -0.2524 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9020    1.4783   -0.2177 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5603    1.1193   -0.0919 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6613    0.8901   -0.4230 Br  0  0  0  0  0  0  0  0  0  0  0  0
   -3.9550   -1.7565    0.5884 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1637   -2.1623    0.6398 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7374    1.4848    0.7386 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5945    1.2668   -1.0670 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7260    0.1945   -0.1494 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3787   -1.5583    0.4156 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7969   -2.2229    0.0218 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1543   -1.6918   -0.1940 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2044    2.5135   -0.2845 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8781    1.9655   -0.0593 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