Monomers

4-Nitrostyrene

Identifiers

IUPAC name
1-ethenyl-4-nitrobenzene
InchI
InChI=1S/C8H7NO2/c1-2-7-3-5-8(6-4-7)9(10)11/h2-6H,1H2
InchI Key
YFZHODLXYNDBSM-UHFFFAOYSA-N
SMILES
C=Cc1ccc(cc1)[N+](=O)[O-]
Canonical SMILES
C=CC1=CC=C(C=C1)[N+](=O)[O-]
Isomeric SMILES
C=CC1=CC=C(C=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
   -2.9112    1.0820    0.9546 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3619   -0.0395    0.5798 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9715   -0.1095    0.2187 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1613    0.9949    0.2512 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1926    0.9151   -0.1029 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7544   -0.2783   -0.4960 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9345   -1.4069   -0.5311 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3886   -1.3170   -0.1826 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1155   -0.3459   -0.8493 N   0  0  0  0  0  4  0  0  0  0  0  0
    3.8172    0.6639   -0.8099 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6570   -1.5294   -1.2351 O   0  0  0  0  0  1  0  0  0  0  0  0
   -3.9864    1.1159    1.2296 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4165    2.0313    1.0328 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9500   -0.9545    0.5321 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5051    1.9738    0.5444 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8107    1.8107   -0.0669 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3506   -2.3723   -0.8395 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9800   -2.2343   -0.2298 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
  6  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
  7 17  1  0
  8 18  1  0
M  CHG  2   9   1  11  -1
M  END

Similar Monomers

Structure
Similarity
IUPAC name
MF
Copolymers