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
   -1.0057   -1.5307    0.6710 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3083   -0.3704    0.2648 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7159   -0.0100    0.1435 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0661    1.1717   -0.2700 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7534   -1.0242    0.5033 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2555    0.5178   -0.0508 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.1278    0.2668    0.0383 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6871   -0.8023    0.6961 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0640   -0.9989    0.7280 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9123   -0.1205    0.0967 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3904    0.9574   -0.5688 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0371    1.1201   -0.5807 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7928   -0.4424    0.1751 Br  0  0  0  0  0  0  0  0  0  0  0  0
   -2.4035    1.9622   -0.5500 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1303    1.4025   -0.3472 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7752   -1.8594   -0.2380 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5881   -1.4313    1.5167 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7617   -0.5594    0.4546 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4964    1.5110   -0.3991 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0776   -1.5229    1.2208 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4424   -1.8633    1.2646 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0731    1.6360   -1.0582 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6554    1.9902   -1.1213 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