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
   -0.7763   -1.4311    1.5833 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2324   -0.6467    0.7544 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6714   -0.3600    0.7356 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4768   -0.9404    1.6041 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1979    0.5781   -0.2601 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3592   -0.0421   -0.1581 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.0116   -0.2161   -0.2578 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8138   -1.0013    0.4952 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1945   -1.1182    0.3254 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8094   -0.3945   -0.6710 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0420    0.4214   -1.4682 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6849    0.5027   -1.2616 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6974   -0.5083   -0.9578 Br  0  0  0  0  0  0  0  0  0  0  0  0
   -4.5355   -0.7283    1.5889 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1229   -1.6349    2.3493 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2985    0.6180   -0.2514 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9042    0.2276   -1.2824 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7528    1.5768   -0.0614 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8309    0.6300   -0.8504 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4142   -1.5838    1.2760 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7899   -1.7690    0.9651 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5464    0.9903   -2.2563 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1547    1.1746   -1.9408 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