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
   -1.0751    1.6108    0.2554 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3220    0.3776    0.0799 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6929   -0.0773    0.0271 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0591   -1.3120   -0.1476 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7740    0.9512    0.1856 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2446   -0.5277   -0.0608 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.1353   -0.2031   -0.0226 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0446   -1.2061   -0.3786 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3972   -0.9835   -0.3600 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9060    0.2536    0.0156 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0456    1.2621    0.3715 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6813    0.9952    0.3395 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7945    0.4873    0.0166 Br  0  0  0  0  0  0  0  0  0  0  0  0
   -2.3963   -2.1394   -0.2731 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1283   -1.6027   -0.1795 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9447    1.0272    1.2966 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6790    0.6083   -0.3429 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4353    1.9473   -0.1812 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5137   -1.5378   -0.2045 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6586   -2.1800   -0.6754 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0996   -1.7714   -0.6392 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4668    2.2073    0.6573 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0352    1.8133    0.6341 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