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
-3.2226 0.0115 -0.0115 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1045 0.5279 -0.4498 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7694 0.0798 -0.0682 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5353 -0.9542 0.8107 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7529 -1.3703 1.1650 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8203 -0.7397 0.6296 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6145 0.3166 -0.2682 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3316 0.7124 -0.6053 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7374 0.9746 -0.8269 N 0 0 0 0 0 4 0 0 0 0 0 0
3.8899 0.6303 -0.5336 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5450 2.0028 -1.7009 O 0 0 0 0 0 1 0 0 0 0 0 0
-4.1605 0.3987 -0.3411 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1919 -0.8015 0.6795 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1941 1.3662 -1.1623 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3888 -1.4661 1.2453 H 0 0 0 0 0 0 0 0 0 0 0 0
0.8920 -2.1987 1.8691 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8248 -1.0266 0.8740 H 0 0 0 0 0 0 0 0 0 0 0 0
0.1589 1.5363 -1.3056 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