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
3.1825 0.5121 -0.3994 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9719 0.8613 -0.7518 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7444 0.1979 -0.3372 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7482 -0.8886 0.4872 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4460 -1.5110 0.8731 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6338 -1.0206 0.4153 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6893 0.0751 -0.4198 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4953 0.6601 -0.7774 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9397 0.5872 -0.8986 N 0 0 0 0 0 4 0 0 0 0 0 0
-3.9837 0.0179 -0.5422 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.9760 1.6774 -1.7282 O 0 0 0 0 0 1 0 0 0 0 0 0
4.0698 1.0248 -0.7241 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3136 -0.3299 0.2489 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9275 1.7433 -1.4241 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6811 -1.2815 0.8526 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4067 -2.3737 1.5303 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5815 -1.4832 0.6978 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4869 1.5315 -1.4378 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