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
3.2316 0.3531 0.6492 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4115 -0.2761 -0.1592 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9650 -0.1648 -0.1285 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2921 0.6268 0.7681 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0968 0.7186 0.7795 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8578 0.0112 -0.1178 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1876 -0.7950 -1.0318 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1816 -0.8688 -1.0233 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2643 0.1112 -0.0976 N 0 0 0 0 0 4 0 0 0 0 0 0
-3.8108 0.8389 0.7316 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.0161 -0.5905 -0.9875 O 0 0 0 0 0 1 0 0 0 0 0 0
2.8637 1.0149 1.4127 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3033 0.2386 0.5882 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8584 -0.9327 -0.9109 H 0 0 0 0 0 0 0 0 0 0 0 0
0.8631 1.2019 1.4941 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6189 1.3504 1.4961 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8068 -1.3371 -1.7219 H 0 0 0 0 0 0 0 0 0 0 0 0
0.6888 -1.5005 -1.7408 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