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
   -1.3447   -1.3601    0.9916 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4238   -0.3610    0.2518 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7598    0.1117   -0.1610 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8459   -0.5078    0.2427 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8655    1.3075   -1.0470 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2752    0.2987   -0.1785 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.0709   -0.0259    0.1258 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1194    0.7410   -0.3882 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4433    0.4939   -0.1420 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7896   -0.5572    0.6487 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8095   -1.3518    1.1863 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4611   -1.0765    0.9183 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6371   -0.9123    0.9997 Br  0  0  0  0  0  0  0  0  0  0  0  0
   -3.7638   -1.3741    0.8848 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8084   -0.1619   -0.0586 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8971    1.3735   -1.4454 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6685    2.2474   -0.4791 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1911    1.2123   -1.9384 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4259    1.1482   -0.8115 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8591    1.5784   -1.0174 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2233    1.1135   -0.5605 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0875   -2.1909    1.8176 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7690   -1.7468    1.3783 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