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
2.8529 -0.9757 0.1192 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1946 0.0361 0.6340 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7778 0.2589 0.3943 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1817 1.3595 0.9874 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1633 1.6370 0.8055 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8971 0.7827 0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3541 -0.3317 -0.6044 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0077 -0.5606 -0.3843 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1272 -1.1891 -1.4099 N 0 0 0 0 0 4 0 0 0 0 0 0
-1.6185 -2.1729 -1.9467 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.4467 -0.9189 -1.5900 O 0 0 0 0 0 1 0 0 0 0 0 0
3.8969 -1.0894 0.3307 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3599 -1.6826 -0.5048 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7398 0.7505 1.2778 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7282 2.0547 1.6183 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6211 2.4996 1.2729 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9371 0.9673 -0.1484 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4254 -1.4252 -0.8643 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