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
   -0.7946   -1.8407   -0.7450 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2457   -0.8036   -0.2535 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7024   -0.5974   -0.0505 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4942   -1.5800   -0.4221 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2519    0.6208    0.5282 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3445    0.2176    0.1267 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.0538    0.2063    0.0139 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8349   -0.7795   -0.4806 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2328   -0.6745   -0.5421 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8782    0.4497   -0.0965 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1014    1.4661    0.4112 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7300    1.3458    0.4639 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7858    0.5841   -0.1843 Br  0  0  0  0  0  0  0  0  0  0  0  0
   -3.1563   -2.5105   -0.8578 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5568   -1.4629   -0.2886 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7769    1.5227    0.0847 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3288    0.6904    0.2709 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1215    0.7010    1.6291 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8402    1.0790    0.5443 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3857   -1.6735   -0.8399 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8189   -1.4838   -0.9439 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6174    2.3495    0.7607 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1750    2.1734    0.8713 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