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
   -0.8749    0.4130   -1.8494 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2748    0.1333   -0.6978 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7135    0.0499   -0.4965 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5534    0.2589   -1.4800 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2094   -0.2783    0.8516 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3326   -0.0788    0.3099 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.0747   -0.0260    0.2572 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7658    0.4660   -0.8213 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1602    0.5092   -0.8909 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8573    0.0349    0.1752 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1907   -0.4700    1.2834 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8236   -0.5106    1.3474 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7671    0.0886    0.0920 Br  0  0  0  0  0  0  0  0  0  0  0  0
   -4.6280    0.2072   -1.3750 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2120    0.5051   -2.4946 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7177    0.4341    1.5654 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3014   -0.1052    0.9617 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9394   -1.3319    1.1059 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7563   -0.3153    1.2645 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2212    0.8525   -1.6681 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6104    0.9162   -1.7861 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7567   -0.8470    2.1315 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2858   -0.9057    2.2139 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