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
    0.7580    1.7906   -0.8494 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2213    0.7048   -0.4341 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7065    0.5503   -0.4118 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4776    1.5172   -0.8125 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2237   -0.7409    0.0831 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3806   -0.3226   -0.0079 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0196   -0.2608   -0.0033 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7618   -1.2106    0.7317 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1311   -1.2033    0.7530 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8690   -0.2682    0.0582 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1754    0.6710   -0.6680 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7788    0.6541   -0.6829 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7706   -0.3039    0.1231 Br  0  0  0  0  0  0  0  0  0  0  0  0
    3.0733    2.4528   -1.1703 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5461    1.4160   -0.8004 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1178   -1.4686   -0.7692 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3352   -0.6230    0.2060 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7442   -1.0855    1.0023 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8195   -1.2353    0.3431 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1838   -1.9422    1.2760 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6881   -1.9420    1.3241 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7248    1.4302   -1.2330 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3009    1.4199   -1.2894 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