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
    1.1937   -1.4929    0.3230 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3177   -0.2579    0.0840 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6537    0.2560    0.0128 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9210    1.4961   -0.2240 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8259   -0.6637    0.2184 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2077    0.5880   -0.1058 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1352    0.1411   -0.0416 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1407    0.9809   -0.5381 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4764    0.6484   -0.5076 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8969   -0.5425    0.0194 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9335   -1.3867    0.5142 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5704   -1.0389    0.4794 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7390   -1.0455    0.0822 Br  0  0  0  0  0  0  0  0  0  0  0  0
    2.1696    2.2331   -0.3846 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9528    1.8837   -0.2772 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5623   -1.7143   -0.0047 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6367   -0.4013   -0.5204 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2516   -0.5035    1.2151 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3583    1.6328   -0.3070 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8196    1.9416   -0.9664 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2299    1.3242   -0.9018 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2364   -2.3405    0.9395 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8728   -1.7381    0.8913 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