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
   -1.1062   -1.5352    0.1239 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3033   -0.2871    0.0588 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6963    0.1206    0.0461 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0226    1.3837   -0.0190 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8010   -0.9001    0.1078 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2075    0.5985    0.0045 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.1531    0.2259    0.0101 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6176   -1.0332   -0.1655 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9889   -1.3422   -0.1324 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9087   -0.3599    0.0818 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4389    0.9228    0.2605 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1005    1.2359    0.2303 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7707   -0.7771    0.1271 Br  0  0  0  0  0  0  0  0  0  0  0  0
   -2.2915    2.1624   -0.0653 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1014    1.6446   -0.0259 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4859   -1.7137    0.7918 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6972   -0.4162    0.5338 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0277   -1.3211   -0.8819 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4428    1.6531   -0.0494 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9678   -1.8554   -0.3476 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3167   -2.3694   -0.2785 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1734    1.7004    0.4303 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7472    2.2626    0.3753 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