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
   -0.9542    0.6406   -1.7692 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2906    0.3181   -0.6088 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7272    0.3853   -0.3084 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5497    0.7707   -1.2544 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1609    0.0118    1.0514 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3494   -0.0887    0.3633 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.0313   -0.1774    0.1350 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6808   -0.1060   -1.0635 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0797   -0.1922   -1.1740 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8687   -0.3550   -0.0647 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2278   -0.4290    1.1508 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8599   -0.3443    1.2564 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7772   -0.4756   -0.1836 Br  0  0  0  0  0  0  0  0  0  0  0  0
   -3.2125    1.0401   -2.2436 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6083    0.8086   -0.9952 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2524    0.0882    1.1878 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6202    0.5904    1.8402 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9056   -1.0634    1.2034 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7470   -0.3430    1.3291 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0908    0.0128   -1.9640 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5051   -0.1257   -2.1588 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8715   -0.5593    2.0284 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3850   -0.4071    2.2425 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