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
-2.5189 -1.5058 -0.6274 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2606 -0.2971 -0.1762 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9069 0.1837 0.0770 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6870 1.4598 0.5503 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5639 1.9746 0.8096 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6523 1.1594 0.5795 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4907 -0.1213 0.1080 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2224 -0.5826 -0.1331 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6371 -0.9441 -0.1214 N 0 0 0 0 0 4 0 0 0 0 0 0
3.7829 -0.5224 0.0981 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5195 -2.2252 -0.5905 O 0 0 0 0 0 1 0 0 0 0 0 0
-1.7755 -2.2531 -0.8531 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.5431 -1.8117 -0.7980 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0806 0.3840 0.0212 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5283 2.1322 0.7434 H 0 0 0 0 0 0 0 0 0 0 0 0
0.6944 2.9884 1.1831 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6340 1.5661 0.7840 H 0 0 0 0 0 0 0 0 0 0 0 0
0.1037 -1.5848 -0.5016 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