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
   -1.0670   -1.8612   -0.1035 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3422   -0.6182   -0.0207 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7164   -0.1623    0.0027 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6828   -1.0421   -0.0624 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0270    1.2653    0.0978 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2937    0.3220    0.0490 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.0925    0.0642    0.0455 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9190    1.1506   -0.1941 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2883    1.0137   -0.2035 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8009   -0.2386    0.0331 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0112   -1.3256    0.2720 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6130   -1.1655    0.2779 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6974   -0.4851    0.0311 Br  0  0  0  0  0  0  0  0  0  0  0  0
   -4.7109   -0.7241   -0.0465 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4846   -2.1209   -0.1344 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1141    1.4386    0.0440 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4609    1.8279   -0.6947 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6860    1.6658    1.0897 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6271    1.3357    0.1153 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4652    2.1313   -0.3794 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9385    1.8723   -0.3927 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3859   -2.3191    0.4605 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0009   -2.0246    0.4765 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