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
2.5413 -1.5646 0.3014 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2197 -0.2940 0.3967 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8745 0.2172 0.1977 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5904 1.5782 0.3117 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6695 2.1016 0.1308 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6853 1.2228 -0.1768 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4866 -0.1383 -0.3074 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1825 -0.6049 -0.1109 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5269 -1.0406 -0.6228 N 0 0 0 0 0 4 0 0 0 0 0 0
-3.6732 -0.6168 -0.7938 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.2694 -2.3724 -0.7382 O 0 0 0 0 0 1 0 0 0 0 0 0
3.5837 -1.8826 0.4653 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8273 -2.3453 0.0648 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9959 0.4186 0.6369 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4396 2.2154 0.5567 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8387 3.1792 0.2319 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6913 1.5835 -0.3283 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0489 -1.6570 -0.2158 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