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
3.1957 -0.0171 -0.1046 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0911 -0.6616 -0.3095 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7760 -0.1135 -0.0659 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6026 1.1601 0.4115 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6916 1.6590 0.6362 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8045 0.9003 0.3892 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6246 -0.3963 -0.0970 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3517 -0.8806 -0.3155 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7729 -1.1855 -0.3542 N 0 0 0 0 0 4 0 0 0 0 0 0
-3.8934 -0.7279 -0.1502 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.6058 -2.4465 -0.8266 O 0 0 0 0 0 1 0 0 0 0 0 0
3.1711 0.9860 0.2679 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1884 -0.4248 -0.2862 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1492 -1.6839 -0.6901 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4397 1.8045 0.6246 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8055 2.6779 1.0173 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8223 1.2606 0.5540 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2415 -1.9109 -0.7008 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