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
    0.9152    0.5924    1.8188 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2696    0.2233    0.6812 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7070    0.1212    0.3365 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5974    0.4252    1.2464 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1517   -0.3140   -1.0041 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3587   -0.1111   -0.3219 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0410   -0.0820   -0.1805 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6876   -0.0140    1.0244 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0833    0.0318    1.0858 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8826    0.0118   -0.0300 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2253   -0.0571   -1.2341 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8629   -0.1028   -1.3259 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7909    0.0756    0.0828 Br  0  0  0  0  0  0  0  0  0  0  0  0
    4.6620    0.3774    1.0761 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2632    0.7407    2.2190 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2142   -0.6074   -0.9654 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0590    0.4869   -1.7706 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5720   -1.2226   -1.2824 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6962   -0.4241   -1.2912 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1514   -0.0043    1.9767 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5454    0.0855    2.0651 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8263   -0.0754   -2.1498 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3693   -0.1569   -2.3070 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