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
2.8872 0.5571 -0.5402 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1548 -0.5405 -0.5092 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7313 -0.5381 -0.1920 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0183 -1.6988 -0.1648 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3636 -1.7125 0.1330 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0037 -0.5117 0.4199 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2952 0.6638 0.4035 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0609 0.6218 0.0967 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9393 1.8777 0.6929 N 0 0 0 0 0 4 0 0 0 0 0 0
-3.1370 1.9045 0.9627 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.2200 3.0274 0.6710 O 0 0 0 0 0 1 0 0 0 0 0 0
3.9442 0.4551 -0.7877 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5533 1.5488 -0.3466 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6012 -1.5240 -0.7268 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4742 -2.6316 -0.3865 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9665 -2.6037 0.1600 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0507 -0.4658 0.6584 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5872 1.5705 0.0936 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