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
   -1.0454   -1.5454    0.3659 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3056   -0.3437    0.1093 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7085    0.1135    0.1775 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1141    1.3250   -0.0630 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7506   -0.9086    0.5565 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2313    0.4992   -0.2306 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.1361    0.1736   -0.3260 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0292    1.1915   -0.6857 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3784    1.0134   -0.8143 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9096   -0.2367   -0.5799 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1006   -1.2634   -0.2288 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7199   -1.0441   -0.1061 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7949   -0.5704   -0.7392 Br  0  0  0  0  0  0  0  0  0  0  0  0
   -2.4129    2.0934   -0.3374 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1768    1.5720    0.0127 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2798   -1.8314    0.9413 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3866   -0.4713    1.3579 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3678   -1.1433   -0.3502 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5324    1.5118   -0.4364 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6577    2.1927   -0.8803 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0576    1.8027   -1.0915 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4482   -2.2559   -0.0333 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0796   -1.8747    0.1761 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