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
    0.7173   -1.4516    1.5382 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2090   -0.6738    0.6933 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6545   -0.6894    0.5214 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3923   -1.4929    1.2328 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2694    0.2153   -0.4672 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3683    0.1736   -0.0487 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0386    0.2757    0.0309 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6737    1.2016   -0.8037 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0134    1.3438   -0.7730 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8499    0.6171    0.0528 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2282   -0.2932    0.8737 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8381   -0.4619    0.8627 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7342    0.8942    0.0198 Br  0  0  0  0  0  0  0  0  0  0  0  0
    2.9216   -2.1531    1.9569 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4771   -1.4949    1.0941 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7510    0.1730   -1.4577 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3298   -0.0552   -0.6868 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2913    1.2706   -0.1035 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8820    0.7970   -0.7415 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0875    1.8176   -1.4881 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5149    2.0774   -1.4345 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8598   -0.8874    1.5422 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4255   -1.2037    1.5431 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