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
2.8563 -0.8955 0.1119 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2525 0.2654 0.1132 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8114 0.4001 0.0295 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2911 1.6974 0.0403 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0727 1.8320 -0.0387 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9620 0.7871 -0.1274 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4102 -0.4760 -0.1352 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0382 -0.6797 -0.0580 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2974 -1.5758 -0.2256 N 0 0 0 0 0 4 0 0 0 0 0 0
-3.5160 -1.4703 -0.2967 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.7724 -2.8626 -0.2357 O 0 0 0 0 0 1 0 0 0 0 0 0
2.2946 -1.7967 0.0479 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9422 -1.0108 0.1746 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9113 1.1324 0.1821 H 0 0 0 0 0 0 0 0 0 0 0 0
0.9417 2.5649 0.1086 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5072 2.8442 -0.0320 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0429 0.9371 -0.1886 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3179 -1.6934 -0.0695 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