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
    0.8551    1.9028    0.3050 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2616    0.7317    0.1619 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7143    0.4927    0.1999 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5140    1.5046    0.3803 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2941   -0.8641    0.0386 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3316   -0.2898   -0.0260 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0757   -0.2193   -0.0874 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8031    0.9385   -0.0617 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2086    0.9696   -0.1175 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8986   -0.2155   -0.2025 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1820   -1.3904   -0.2297 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8123   -1.4175   -0.1751 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8064   -0.2057   -0.2798 Br  0  0  0  0  0  0  0  0  0  0  0  0
    3.1082    2.4920    0.4981 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5787    1.3701    0.4139 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3256   -0.8183   -0.3829 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7137   -1.4635   -0.7205 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2448   -1.3895    1.0073 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7709   -1.2635   -0.1394 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2815    1.8816    0.0009 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6888    1.9390   -0.0905 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7003   -2.3203   -0.2955 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2553   -2.3651   -0.1976 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