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
   -0.9824   -1.6915   -0.2219 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2696   -0.4536   -0.2333 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6914   -0.0882   -0.2939 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1006    1.1595   -0.3105 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6818   -1.2125   -0.3372 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2955    0.5551   -0.1908 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.0939    0.2909   -0.1256 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9737    1.3647   -0.3571 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3314    1.2420   -0.3095 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8742    0.0091   -0.0212 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0562   -1.0683    0.2122 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6756   -0.9019    0.1545 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7686   -0.2282    0.0600 Br  0  0  0  0  0  0  0  0  0  0  0  0
   -4.1962    1.3144   -0.3573 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4850    2.0414   -0.2834 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6987   -0.8545   -0.4967 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5341   -1.7886    0.5919 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3591   -1.8745   -1.1784 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5959    1.5553   -0.2051 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5623    2.3533   -0.5882 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9809    2.1141   -0.4984 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4898   -2.0531    0.4425 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0836   -1.7846    0.3572 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