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
   -1.0778   -1.1894   -1.2078 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2788   -0.3225   -0.3330 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6527   -0.0806    0.0521 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9663    0.8060    0.9583 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7662   -0.8688   -0.6045 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2259    0.3903    0.2560 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.1425    0.2372   -0.0490 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5806   -0.4493   -1.1495 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9557   -0.5830   -1.3897 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8580   -0.0194   -0.5125 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4003    0.6684    0.5895 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0629    0.8079    0.8387 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7213   -0.2059   -0.8463 Br  0  0  0  0  0  0  0  0  0  0  0  0
   -2.2960    1.4354    1.5061 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0325    0.9267    1.1911 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3869   -1.3057    0.2081 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3546   -1.6522   -1.2414 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3213   -0.1332   -1.2166 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4732    1.1152    0.9967 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9492   -0.9090   -1.8859 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2724   -1.1302   -2.2654 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1582    1.0983    1.2570 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7313    1.3636    1.7286 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