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
    0.9264   -0.6023   -1.7510 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2904   -0.3965   -0.5696 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7097   -0.5775   -0.1799 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5536   -0.9569   -1.1097 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2086   -0.3528    1.1839 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3199    0.0082    0.3689 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0589    0.2148    0.1220 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8451    0.6202    1.2121 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1903    0.8531    1.1058 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8361    0.7001   -0.0793 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0982    0.3044   -1.1679 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7206    0.0693   -1.0441 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7158    1.0236   -0.2365 Br  0  0  0  0  0  0  0  0  0  0  0  0
    4.6037   -1.1113   -0.9091 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2263   -1.1312   -2.1229 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2798   -0.1171    1.2334 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6947    0.5742    1.5759 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9284   -1.1617    1.8985 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7149    0.1625    1.3580 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3968    0.7613    2.1840 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7903    1.1708    1.9737 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6012    0.1813   -2.1073 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2031   -0.2364   -1.9281 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