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
   -1.2884   -1.1703   -1.0942 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3500   -0.1209   -0.4123 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6762    0.3962   -0.1334 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8394    1.4934    0.5752 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9008   -0.2963   -0.6392 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1683    0.4862    0.0358 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.1663    0.0417   -0.1997 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5397   -0.9708   -1.0390 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8775   -1.3707   -1.2185 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8731   -0.7296   -0.5301 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5265    0.2954    0.3230 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2144    0.6733    0.4867 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7023   -1.2249   -0.7304 Br  0  0  0  0  0  0  0  0  0  0  0  0
   -3.8689    1.8536    0.7648 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0564    2.0995    1.0050 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7461   -0.7065   -1.6584 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7399    0.3969   -0.6679 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1664   -1.1252    0.0417 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2910    1.3817    0.6152 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7889   -1.4920   -1.5998 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1122   -2.1800   -1.8970 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3380    0.7847    0.8550 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9529    1.4846    1.1642 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