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
   -2.7760   -1.0647   -0.2462 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2772    0.1350   -0.1242 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8579    0.3544   -0.0234 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3438    1.6557    0.1071 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9842    1.9297    0.2067 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8633    0.8666    0.1769 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4197   -0.4193    0.0517 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0531   -0.6809   -0.0493 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3537   -1.4762    0.0255 N   0  0  0  0  0  4  0  0  0  0  0  0
    3.5646   -1.2351    0.1157 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9185   -2.7681   -0.0997 O   0  0  0  0  0  1  0  0  0  0  0  0
   -2.1506   -1.9290   -0.2759 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8472   -1.1897   -0.3191 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9294    1.0136   -0.0950 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0520    2.4876    0.1293 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3429    2.9459    0.3062 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9407    1.0781    0.2569 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2066   -1.7037   -0.1433 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