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
3.1682 -0.6773 0.5817 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4027 0.2236 0.0425 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9645 0.1501 0.0752 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2790 -0.8797 0.6797 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1011 -0.8963 0.6791 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8438 0.0953 0.0864 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1469 1.1272 -0.5192 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2248 1.1832 -0.5420 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2557 0.1003 0.0728 N 0 0 0 0 0 4 0 0 0 0 0 0
-3.8624 1.0195 -0.4760 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.9350 -0.9149 0.6686 O 0 0 0 0 0 1 0 0 0 0 0 0
2.7697 -1.5258 1.0812 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2643 -0.6190 0.5555 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8630 1.0879 -0.4657 H 0 0 0 0 0 0 0 0 0 0 0 0
0.8438 -1.6892 1.1632 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6291 -1.7030 1.1527 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7466 1.9126 -0.9887 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7404 2.0055 -1.0249 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