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
   -1.1870    1.0260   -0.9312 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3220    0.2637    0.0748 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6620    0.0761    0.6223 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9438   -0.6715    1.6434 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7909    0.7901   -0.0321 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1642   -0.3466    0.5898 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.1695   -0.2237    0.1356 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1500   -1.0924    0.6107 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4512   -1.0096    0.2186 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8400   -0.0402   -0.6805 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9058    0.8449   -1.1805 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5856    0.7268   -0.7541 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6547    0.0935   -1.2428 Br  0  0  0  0  0  0  0  0  0  0  0  0
   -2.1721   -1.2067    2.1511 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9501   -0.7690    1.9991 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4063    1.6415   -0.6609 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4378    1.2406    0.7576 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4161    0.0961   -0.6266 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3498   -0.9806    1.4393 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7904   -1.8448    1.3219 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1926   -1.6862    0.5941 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1589    1.6236   -1.8880 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9032    1.4485   -1.1689 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