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
   -1.0695   -1.5901    0.1528 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2569   -0.3643   -0.0949 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6468    0.0578   -0.2583 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0596    1.2677   -0.5162 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7408   -0.9812   -0.1221 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2238    0.5687   -0.2142 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.1423    0.2625   -0.0815 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6344   -1.0117   -0.1145 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0035   -1.2661    0.0417 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8655   -0.2145    0.2309 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3850    1.0787    0.2664 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0571    1.2975    0.1130 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7427   -0.5857    0.4435 Br  0  0  0  0  0  0  0  0  0  0  0  0
   -2.3373    2.0622   -0.6271 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1354    1.4902   -0.6225 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6378   -0.5476    0.3555 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0207   -1.3429   -1.1117 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3562   -1.7809    0.5211 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4699    1.5713   -0.4195 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0146   -1.9028   -0.2734 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3796   -2.2815    0.0138 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0601    1.9094    0.4149 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6698    2.3029    0.1391 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