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
    0.9777   -1.7519    0.7308 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2740   -0.6104    0.3825 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7045   -0.2369    0.3035 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5970   -1.1524    0.6120 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1400    1.0996   -0.1014 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3179    0.3604    0.0547 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0744    0.1549    0.0903 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6483   -0.8902    0.7535 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0449   -1.0294    0.7176 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8669   -0.1570    0.0422 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2664    0.8941   -0.6219 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9137    1.0541   -0.6048 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7617   -0.3680    0.0087 Br  0  0  0  0  0  0  0  0  0  0  0  0
    4.6678   -0.9576    0.5792 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2990   -2.1279    0.9080 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0953    1.2104   -1.2246 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5189    1.9262    0.3009 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2045    1.2398    0.1754 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6500    1.3237   -0.2410 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0765   -1.6086    1.3157 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4657   -1.8692    1.2537 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9032    1.6093   -1.1718 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4250    1.8867   -1.1301 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