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
    1.0548   -1.8079   -0.0180 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3265   -0.5878   -0.0324 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7324   -0.2413   -0.0549 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6394   -1.1679   -0.0593 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1268    1.1753   -0.0727 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3306    0.4122   -0.0273 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0575    0.1363   -0.0114 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6595   -1.0688   -0.2260 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0517   -1.2437   -0.1722 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8922   -0.1990    0.1020 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2921    1.0216    0.3194 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9348    1.2050    0.2699 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7924   -0.4092    0.1814 Br  0  0  0  0  0  0  0  0  0  0  0  0
    3.3113   -2.2153   -0.0456 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7101   -0.9872   -0.0757 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2164    1.3157   -0.2314 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8618    1.6365    0.9195 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6270    1.7273   -0.9011 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6806    1.4136   -0.0379 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0348   -1.9262   -0.4581 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4622   -2.2239   -0.3515 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9684    1.8585    0.5391 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4721    2.1764    0.4441 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