Monomers

3-Nitrostyrene

Identifiers

IUPAC name
1-ethenyl-3-nitrobenzene
InchI
InChI=1S/C8H7NO2/c1-2-7-4-3-5-8(6-7)9(10)11/h2-6H,1H2
InchI Key
SYZVQXIUVGKCBJ-UHFFFAOYSA-N
SMILES
C=Cc1cccc(c1)[N+](=O)[O-]
Canonical SMILES
C=CC1=CC(=CC=C1)[N+](=O)[O-]
Isomeric SMILES
C=CC1=CC(=CC=C1)[N+](=O)[O-]
Resources

Structures

2D Structure
3D Structure

Molecular Formula and Computed Descriptors

Molecular Formula
C8H7NO2
Heavy Atom Count
11
Molecular Weight
149.149
Exact Molecular Weight
149.0477
Valence Electrons
56
Radical Electrons
0
tPSA
43.14
MolLogP
2.2378
H Bond Acceptors
2
H Bond Donors
0
Aliphatic Carbocycles
0
Aromatic Carbocycles
1
Aliphatic Heterocycles
0
Aromatic Heterocycles
0
Aliphatic Rings
0
Aromatic Rings
1

MOL File


     RDKit          3D

 18 18  0  0  0  0  0  0  0  0999 V2000
   -3.1806    0.2715    0.3957 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1676   -0.4868    0.0963 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7713   -0.0342    0.0522 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4247    1.2646    0.3333 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9245    1.6385    0.2751 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9294    0.7576   -0.0535 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5649   -0.5430   -0.3331 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2444   -0.9176   -0.2783 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5896   -1.4544   -0.6715 N   0  0  0  0  0  4  0  0  0  0  0  0
    3.7846   -1.1745   -0.7356 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2260   -2.7492   -0.9497 O   0  0  0  0  0  1  0  0  0  0  0  0
   -4.1736   -0.1273    0.4081 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0749    1.3150    0.6408 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3775   -1.5467   -0.1413 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1809    1.9868    0.5952 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1740    2.6559    0.4978 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9715    1.0874   -0.0884 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0575   -1.9437   -0.4972 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  3
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  7  9  1  0
  9 10  2  0
  9 11  1  0
  8  3  1  0
  1 12  1  0
  1 13  1  0
  2 14  1  0
  4 15  1  0
  5 16  1  0
  6 17  1  0
  8 18  1  0
M  CHG  2   9   1  11  -1
M  END

Similar Monomers

Structure
Similarity
IUPAC name
MF
Copolymers