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
2.9089 0.6955 0.0036 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2594 -0.4185 0.1170 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8063 -0.4588 0.0786 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1371 -1.6794 0.2041 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2317 -1.7571 0.1727 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9959 -0.6289 0.0156 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3703 0.5950 -0.1116 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0283 0.6627 -0.0781 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1598 1.7565 -0.2734 N 0 0 0 0 0 4 0 0 0 0 0 0
-1.6119 2.8588 -0.3884 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.5164 1.6464 -0.3006 O 0 0 0 0 0 1 0 0 0 0 0 0
4.0122 0.7224 0.0332 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4682 1.6737 -0.1259 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8069 -1.3392 0.2428 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7762 -2.5449 0.3262 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6925 -2.7283 0.2746 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0924 -0.6912 -0.0096 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4674 1.6354 -0.1809 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