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
-3.2069 -0.7267 0.1805 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4218 0.3067 0.0976 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9835 0.2042 0.0360 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3059 -0.9875 0.0589 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0921 -1.0347 -0.0033 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8583 0.1048 -0.0903 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1908 1.3084 -0.1142 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1783 1.3503 -0.0530 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2876 0.0391 -0.1531 N 0 0 0 0 0 4 0 0 0 0 0 0
4.0138 1.0309 -0.2315 O 0 0 0 0 0 0 0 0 0 0 0 0
3.8738 -1.1950 -0.1242 O 0 0 0 0 0 1 0 0 0 0 0 0
-2.8044 -1.7264 0.2072 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.3029 -0.5662 0.2237 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8606 1.2929 0.0732 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8588 -1.9326 0.1273 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5822 -1.9832 0.0172 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7548 2.2140 -0.1813 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7302 2.3009 -0.0708 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