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
    2.9089    0.6955    0.0036 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2594   -0.4185    0.1170 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8063   -0.4588    0.0786 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1371   -1.6794    0.2041 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2317   -1.7571    0.1727 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9959   -0.6289    0.0156 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3703    0.5950   -0.1116 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0283    0.6627   -0.0781 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1598    1.7565   -0.2734 N   0  0  0  0  0  4  0  0  0  0  0  0
   -1.6119    2.8588   -0.3884 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5164    1.6464   -0.3006 O   0  0  0  0  0  1  0  0  0  0  0  0
    4.0122    0.7224    0.0332 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4682    1.6737   -0.1259 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8069   -1.3392    0.2428 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7762   -2.5449    0.3262 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6925   -2.7283    0.2746 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0924   -0.6912   -0.0096 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4674    1.6354   -0.1809 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