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
    3.0344   -1.0539    0.0411 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7769   -1.2897   -0.2590 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7238   -0.3219   -0.1717 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8769    0.9708    0.2320 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1875    1.8832    0.3011 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4441    1.4511   -0.0557 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6520    0.1530   -0.4711 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5771   -0.7028   -0.5218 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9603   -0.2984   -0.8430 N   0  0  0  0  0  4  0  0  0  0  0  0
   -3.9447    0.4497   -0.8068 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1218   -1.6005   -1.2510 O   0  0  0  0  0  1  0  0  0  0  0  0
    3.3017   -0.0671    0.3771 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7834   -1.8275   -0.0457 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5393   -2.3109   -0.5995 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8726    1.3139    0.5149 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0132    2.8793    0.6274 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2946    2.1077   -0.0215 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7399   -1.7359   -0.8519 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