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
   -0.9441    1.6479    0.2094 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2809    0.4570   -0.0200 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7122    0.1570   -0.1258 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1713   -1.0571   -0.3637 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6838    1.3034    0.0487 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2591   -0.4972   -0.1576 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.1214   -0.3170   -0.0755 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9768   -1.4197   -0.2457 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3327   -1.3189   -0.1790 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9158   -0.1150    0.0609 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1250    0.9864    0.2331 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7279    0.8663    0.1614 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8015    0.0183    0.1524 Br  0  0  0  0  0  0  0  0  0  0  0  0
   -4.2589   -1.2222   -0.4326 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5277   -1.8929   -0.4932 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7666    1.5830    1.1021 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3501    2.1813   -0.5418 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6607    0.9754   -0.3463 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6295   -1.4887   -0.3517 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5400   -2.3843   -0.4368 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9590   -2.1902   -0.3152 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5454    1.9537    0.4241 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1992    1.7733    0.3076 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