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
   -1.0068   -1.5274    0.5031 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2825   -0.3482    0.1068 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6655    0.0606   -0.0061 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0138    1.2469   -0.4034 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7675   -0.8992    0.3416 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2319    0.5283   -0.2116 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.1640    0.2311   -0.1278 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6691   -0.7982    0.6223 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0478   -1.0634    0.6504 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8594   -0.2561   -0.0969 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3646    0.7776   -0.8509 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0253    1.0223   -0.8684 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7498   -0.6358   -0.0456 Br  0  0  0  0  0  0  0  0  0  0  0  0
   -2.3176    2.0188   -0.6794 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0700    1.5484   -0.4860 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2598   -0.6182    1.3013 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3462   -1.9041    0.4742 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4856   -0.8373   -0.5116 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4879    1.5131   -0.5444 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0125   -1.4179    1.2203 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3652   -1.8789    1.2550 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0700    1.3953   -1.4335 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6076    1.8421   -1.4643 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