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
   -0.8566   -1.4202   -1.1215 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2639   -0.6339   -0.2417 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7064   -0.6004    0.0768 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4963   -1.4122   -0.5929 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2571    0.3049    1.1057 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3388    0.1943    0.4178 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.0613    0.2685    0.2172 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8159    1.1694    0.9858 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1761    1.2765    0.8263 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8669    0.5120   -0.0889 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1595   -0.3690   -0.8466 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7890   -0.4660   -0.6747 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7740    0.6879   -0.2864 Br  0  0  0  0  0  0  0  0  0  0  0  0
   -3.0949   -2.0728   -1.3436 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5608   -1.4203   -0.3912 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2718   -0.0503    1.3800 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6603    0.2689    2.0539 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3611    1.3486    0.7660 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7829    0.8346    1.1564 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2998    1.7777    1.7074 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7713    1.9672    1.4123 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6525   -0.9867   -1.5732 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2844   -1.1787   -1.3011 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