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
   -0.9188   -1.5512    0.6169 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2646   -0.4219    0.1885 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6986   -0.1237    0.1015 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1511    1.0288   -0.3338 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6900   -1.1548    0.5180 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2603    0.4991   -0.1859 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.1280    0.2820   -0.1348 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9729    1.3932   -0.3006 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3570    1.2684   -0.2793 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9150    0.0199   -0.0901 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1058   -1.0789    0.0738 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7135   -0.9316    0.0488 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7876   -0.1915   -0.0545 Br  0  0  0  0  0  0  0  0  0  0  0  0
   -2.5474    1.8505   -0.6622 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2367    1.2310   -0.3906 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9277   -1.8100   -0.3393 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6162   -0.6482    0.8456 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3102   -1.7436    1.3867 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6135    1.4525   -0.5463 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5098    2.3577   -0.4461 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9920    2.1468   -0.4105 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5825   -2.0331    0.2185 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1709   -1.8414    0.1755 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