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
    0.8960   -1.0198   -1.3586 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2706   -0.3469   -0.3558 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6899   -0.2471   -0.0829 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1656    0.4168    0.9161 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6510   -0.9495   -1.0067 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2769    0.2532    0.4179 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1081    0.2239    0.2497 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8899    0.9260    1.1879 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2608    0.9742    1.1326 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8958    0.2991    0.1043 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1477   -0.3953   -0.8259 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7744   -0.4287   -0.7491 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7920    0.3676    0.0303 Br  0  0  0  0  0  0  0  0  0  0  0  0
    2.5454    0.9361    1.6073 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2262    0.4680    1.0863 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4485   -1.4626   -0.4089 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1098   -1.7114   -1.5749 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1731   -0.2322   -1.6594 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6510    0.8093    1.2524 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4383    1.4751    2.0184 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8238    1.5319    1.8830 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7035   -0.9013   -1.6040 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2699   -0.9863   -1.5048 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