Monomers
4-Nitrostyrene
Identifiers
IUPAC name
1-ethenyl-4-nitrobenzene
InchI
InChI=1S/C8H7NO2/c1-2-7-3-5-8(6-4-7)9(10)11/h2-6H,1H2
InchI Key
YFZHODLXYNDBSM-UHFFFAOYSA-N
SMILES
C=Cc1ccc(cc1)[N+](=O)[O-]
Canonical SMILES
C=CC1=CC=C(C=C1)[N+](=O)[O-]
Isomeric SMILES
C=CC1=CC=C(C=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
-3.1864 -0.6209 -0.4297 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3889 0.0135 0.4079 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9531 0.0509 0.2322 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1822 0.7414 1.1595 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1806 0.7834 1.0026 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8409 0.1693 -0.0404 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0503 -0.5071 -0.9432 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3296 -0.5761 -0.8247 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2540 0.2212 -0.1905 N 0 0 0 0 0 4 0 0 0 0 0 0
3.7695 -0.3625 -1.1637 O 0 0 0 0 0 0 0 0 0 0 0 0
4.0810 0.8700 0.6642 O 0 0 0 0 0 1 0 0 0 0 0 0
-4.2605 -0.6152 -0.2467 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8560 -1.1528 -1.2938 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8192 0.5281 1.2619 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6609 1.2502 2.0126 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7764 1.3331 1.7437 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5662 -0.9967 -1.7730 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8820 -1.1299 -1.5791 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
6 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
7 17 1 0
8 18 1 0
M CHG 2 9 1 11 -1
M END
Similar Monomers
Structure
Similarity
IUPAC name
MF
Copolymers