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
   -1.2728    1.5581    0.2670 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3390    0.3207    0.2563 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6192   -0.3415    0.4804 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6697    0.4293    0.6886 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7147   -1.8136    0.4708 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2151   -0.4822    0.0340 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.0592    0.0831   -0.2017 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1509   -0.7269    0.1464 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4083   -0.2438   -0.0811 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5954    1.0104   -0.6397 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5089    1.7888   -0.9743 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2251    1.3087   -0.7483 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3611    1.6475   -0.9402 Br  0  0  0  0  0  0  0  0  0  0  0  0
   -3.6238    1.4874    0.6997 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6129   -0.0672    0.8536 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7718   -2.1347    0.5108 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2833   -2.1567   -0.5123 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1452   -2.2710    1.3198 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2803   -1.5445    0.0288 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9735   -1.7162    0.5881 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2637   -0.8746    0.1899 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6128    2.7844   -1.4172 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3889    1.9545   -1.0462 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