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
   -1.1628    1.1311   -0.9594 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3210    0.1646   -0.1699 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7198   -0.2359    0.0745 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0354   -1.2220    0.8705 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8156    0.5130   -0.6129 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2013   -0.4546    0.4119 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.1678   -0.0994    0.2098 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1456   -0.9793    0.6913 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4778   -0.7144    0.5531 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8847    0.4440   -0.0738 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9440    1.3162   -0.5508 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5941    1.0414   -0.4070 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7336    0.8545   -0.2892 Br  0  0  0  0  0  0  0  0  0  0  0  0
   -2.2810   -1.7730    1.3731 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0641   -1.4843    1.0235 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1000    1.3602    0.0470 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6324   -0.2032   -0.7893 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3820    0.9189   -1.5498 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4233   -1.2641    1.0656 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8147   -1.8978    1.1880 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2431   -1.4129    0.9351 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2461    2.2250   -1.0426 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8872    1.7719   -0.7966 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