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
-3.1932 -0.2961 0.1457 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0677 -0.8276 -0.2834 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7882 -0.1847 -0.0304 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6289 0.9965 0.6553 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6090 1.5917 0.8842 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7418 0.9738 0.4031 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6364 -0.2130 -0.2914 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3963 -0.7706 -0.4977 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8249 -0.8583 -0.7944 N 0 0 0 0 0 4 0 0 0 0 0 0
2.7182 -1.9204 -1.4145 O 0 0 0 0 0 0 0 0 0 0 0 0
4.0555 -0.2896 -0.5804 O 0 0 0 0 0 1 0 0 0 0 0 0
-4.1648 -0.7854 -0.0471 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2866 0.6233 0.7014 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1062 -1.7538 -0.8299 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5059 1.4908 1.0373 H 0 0 0 0 0 0 0 0 0 0 0 0
0.6862 2.5278 1.4326 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7416 1.4017 0.5566 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3317 -1.7060 -1.0469 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