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
    0.8004   -1.9507   -0.1033 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2340   -0.7882   -0.1359 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6916   -0.5877   -0.2887 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5012   -1.6143   -0.3865 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2764    0.7759   -0.3358 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3477    0.2963   -0.0288 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0625    0.2449    0.1218 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8053   -0.8890    0.2344 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2021   -0.8577    0.3773 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8923    0.3219    0.4108 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1484    1.4772    0.2975 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7831    1.4528    0.1576 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7846    0.4014    0.6032 Br  0  0  0  0  0  0  0  0  0  0  0  0
    3.1516   -2.6338   -0.3608 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5545   -1.4498   -0.4967 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2973    0.7393   -0.7561 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3250    1.2432    0.6802 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6453    1.4104   -0.9942 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8370    1.2484   -0.0701 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3247   -1.8464    0.2173 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7505   -1.7783    0.4630 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6897    2.4177    0.3233 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2186    2.3666    0.0704 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