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
   -0.6906    1.8155   -0.8366 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1679    0.8124   -0.2987 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6395    0.7287   -0.1222 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3979    1.7259   -0.5440 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2866   -0.4210    0.5038 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3434   -0.2195    0.1337 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.0625   -0.3275    0.0534 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8246    0.5617   -0.6633 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2208    0.4004   -0.6882 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8554   -0.6183   -0.0195 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0589   -1.4908    0.6883 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7115   -1.3720    0.7390 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7576   -0.7950   -0.0843 Br  0  0  0  0  0  0  0  0  0  0  0  0
   -4.4708    1.6902   -0.4278 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9572    2.6043   -1.0174 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4535   -1.1952   -0.2855 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2825   -0.1404    0.8819 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7373   -0.8564    1.3586 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8608   -1.0414    0.5864 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3937    1.3827   -1.2182 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7923    1.1259   -1.2676 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5422   -2.3049    1.2250 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0684   -2.0653    1.3032 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