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
   -1.0152    1.3700    0.8043 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2935    0.3067    0.1617 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7171   -0.0432   -0.0537 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0582   -1.1207   -0.7052 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7580    0.8864    0.5044 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2301   -0.4700   -0.3040 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.1547   -0.2123   -0.1538 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6449    1.0046    0.2011 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0238    1.2156    0.3594 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9041    0.1943    0.1573 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3876   -1.0303   -0.2022 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0626   -1.2685   -0.3633 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7944    0.4393    0.3627 Br  0  0  0  0  0  0  0  0  0  0  0  0
   -4.1439   -1.3005   -0.8169 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3886   -1.8373   -1.1359 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3553    1.9079    0.6506 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9908    0.5058    1.5395 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6412    0.8675   -0.1557 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5131   -1.3649   -0.8381 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0052    1.8723    0.3656 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3900    2.1976    0.6441 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0753   -1.8764   -0.3730 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6625   -2.2442   -0.6489 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