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
-3.2290 0.1332 -0.0111 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0838 0.6197 -0.4218 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7688 0.1090 -0.0627 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5838 -0.9658 0.7674 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6976 -1.4304 1.0917 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8176 -0.8162 0.5823 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6307 0.2681 -0.2551 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3690 0.7243 -0.5734 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7964 0.8960 -0.7765 N 0 0 0 0 0 4 0 0 0 0 0 0
3.9468 0.5036 -0.5044 O 0 0 0 0 0 0 0 0 0 0 0 0
2.6242 1.9767 -1.6115 O 0 0 0 0 0 1 0 0 0 0 0 0
-4.1861 0.5475 -0.3057 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2274 -0.7166 0.6491 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1728 1.4944 -1.0989 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4561 -1.4606 1.1769 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7916 -2.2981 1.7634 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8106 -1.1719 0.8303 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2232 1.5873 -1.2399 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