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
   -1.0385    1.8247   -0.3300 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3348    0.6619   -0.0065 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7365    0.2919    0.1784 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6954    1.1835    0.0047 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0978   -1.0964    0.5650 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3211   -0.3065    0.1839 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.0563   -0.1030    0.0442 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9120   -1.1911    0.2738 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2795   -1.1078    0.1662 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8749    0.0764   -0.1795 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0544    1.1604   -0.4103 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6730    1.0564   -0.2964 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7746    0.1931   -0.3293 Br  0  0  0  0  0  0  0  0  0  0  0  0
   -3.4844    2.2038   -0.2761 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7342    0.9169    0.1397 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1828   -1.2252    0.5890 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7146   -1.8272   -0.2033 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6608   -1.3605    1.5494 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6525   -1.2900    0.4626 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4630   -2.1411    0.5494 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9031   -1.9713    0.3519 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5273    2.1044   -0.6858 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1350    1.9466   -0.4944 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