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
   -1.0138    1.6409    0.0760 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3117    0.4280   -0.0090 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7184    0.0058    0.0128 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1263   -1.2236   -0.0691 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7497    1.0881    0.1399 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2355   -0.4808   -0.1240 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.1123   -0.2209   -0.1564 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7235    0.9882   -0.0843 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1071    1.1557   -0.1255 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9297    0.0750   -0.2440 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3535   -1.1744   -0.3207 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9840   -1.3270   -0.2789 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8178    0.2988   -0.3006 Br  0  0  0  0  0  0  0  0  0  0  0  0
   -4.2047   -1.4622   -0.0456 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4887   -2.0747   -0.1622 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6381    1.7140   -0.7708 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5072    1.7166    1.0097 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7586    0.6830    0.2471 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5787   -1.5048   -0.1921 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1498    1.8630    0.0080 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5326    2.1566   -0.0626 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0324   -2.0116   -0.4141 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5886   -2.3338   -0.3434 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