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
   -0.8298    1.4740   -1.3295 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2673    0.6225   -0.5145 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7148    0.5143   -0.2633 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5455    1.3060   -0.8900 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2353   -0.4762    0.6862 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3385   -0.2090    0.1376 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.0661   -0.2190    0.0007 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8141   -1.2044    0.6642 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1807   -1.2825    0.5887 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8601   -0.3592   -0.1683 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1981    0.6303   -0.8431 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8091    0.6632   -0.7315 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7591   -0.4432   -0.2917 Br  0  0  0  0  0  0  0  0  0  0  0  0
   -4.6059    1.2863   -0.7597 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1785    2.0579   -1.6078 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7157   -1.4489    0.6594 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3137   -0.6935    0.4371 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2608   -0.1142    1.7415 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7546   -0.9082    0.8122 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2708   -1.9353    1.2636 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7365   -2.0734    1.1252 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7314    1.3588   -1.4400 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3343    1.4536   -1.2713 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