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
-2.9950 -1.1024 -0.0456 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7350 -1.3660 -0.1865 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6773 -0.3812 -0.0394 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9645 0.9269 0.2675 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0724 1.8525 0.4030 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3819 1.4930 0.2377 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6839 0.1752 -0.0722 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6652 -0.7452 -0.2078 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0239 -0.2461 -0.2531 N 0 0 0 0 0 4 0 0 0 0 0 0
3.2543 -1.4285 -0.5285 O 0 0 0 0 0 0 0 0 0 0 0 0
4.0296 0.6702 -0.1175 O 0 0 0 0 0 1 0 0 0 0 0 0
-3.7655 -1.8775 -0.1655 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3701 -0.1426 0.1903 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4434 -2.3961 -0.4324 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9751 1.2658 0.4085 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1884 2.8579 0.6414 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1481 2.2324 0.3501 H 0 0 0 0 0 0 0 0 0 0 0 0
0.8549 -1.7883 -0.4499 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