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
   -0.7982   -1.8915   -0.5340 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2317   -0.7512   -0.2313 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7032   -0.5136   -0.2149 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5332   -1.4881   -0.5143 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2035    0.8329    0.1430 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3587    0.2802    0.0852 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.0727    0.2146    0.1105 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8093   -0.8223   -0.3826 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1777   -0.8195   -0.3078 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8478    0.2360    0.2697 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1010    1.2801    0.7654 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7353    1.2853    0.6951 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7386    0.3254    0.4169 Br  0  0  0  0  0  0  0  0  0  0  0  0
   -3.1453   -2.4647   -0.7731 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5823   -1.3099   -0.5002 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7094    1.2093    1.0644 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2923    0.7561    0.3230 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9677    1.5061   -0.7243 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8081    1.2080    0.3273 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3270   -1.6887   -0.8629 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7875   -1.6480   -0.7002 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5856    2.1274    1.2259 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1511    2.1364    1.1013 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