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
    1.1155    1.5532    0.5274 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3021    0.3625    0.1902 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6794   -0.0919   -0.0054 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9604   -1.3238   -0.3588 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8241    0.8552    0.1966 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2046   -0.4868    0.0128 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1483   -0.1796    0.1638 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0819   -1.1975    0.0631 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4382   -1.0024    0.1885 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8755    0.2798    0.4268 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9855    1.3166    0.5335 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6064    1.0764    0.3991 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7373    0.6235    0.6114 Br  0  0  0  0  0  0  0  0  0  0  0  0
    4.0276   -1.5869   -0.4859 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2647   -2.1088   -0.5392 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4351    1.8378    0.5226 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4103    0.9305   -0.7436 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4545    0.4324    1.0089 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4429   -1.4934   -0.2756 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7761   -2.2364   -0.1266 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1379   -1.8360    0.1017 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3400    2.3258    0.7217 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9943    1.9499    0.4939 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