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
    0.9859   -1.7912    0.4661 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3157   -0.6221    0.1707 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7481   -0.2815    0.1355 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6246   -1.2270    0.4178 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1560    1.0769   -0.2068 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3172    0.3407   -0.1209 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0763    0.1305   -0.1185 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8637    1.2448   -0.4417 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2347    1.1474   -0.4682 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8609   -0.0472   -0.1776 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1246   -1.1672    0.1451 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7410   -1.0255    0.1604 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7659   -0.2207   -0.2044 Br  0  0  0  0  0  0  0  0  0  0  0  0
    4.6916   -1.0639    0.4154 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3186   -2.2450    0.6743 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0601    1.2805   -1.3000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5515    1.8099    0.3859 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2448    1.1869    0.0379 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7215    1.3005   -0.3583 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4141    2.2093   -0.6784 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8640    1.9998   -0.7164 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5950   -2.1231    0.3788 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1952   -1.9126    0.4146 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