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
    0.8049    1.6710    0.1289 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2533    0.4768   -0.0104 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6987    0.3132   -0.1166 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2309   -0.8537   -0.2587 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5423    1.5333   -0.0562 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3308   -0.5654   -0.0494 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0677   -0.4061    0.0614 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7499    0.6825    0.5241 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1466    0.7436    0.5719 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9142   -0.3053    0.1497 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2487   -1.4133   -0.3200 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8788   -1.4734   -0.3674 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8174   -0.2888    0.1872 Br  0  0  0  0  0  0  0  0  0  0  0  0
    2.6517   -1.7430   -0.3050 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3040   -0.9389   -0.3341 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1897    2.2905   -0.7880 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4970    1.9619    0.9719 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6109    1.3095   -0.2509 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7296   -1.5466   -0.1684 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1894    1.5424    0.8877 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6271    1.6282    0.9461 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8379   -2.2579   -0.6601 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3659   -2.3605   -0.7437 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