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
3.1806 -0.2989 -0.2467 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0487 -0.8808 0.0300 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7685 -0.2046 -0.0232 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6653 1.1292 -0.3784 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5773 1.7606 -0.4233 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7260 1.0669 -0.1143 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6510 -0.2699 0.2446 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4102 -0.8473 0.2748 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8428 -0.9814 0.5629 N 0 0 0 0 0 4 0 0 0 0 0 0
-2.7172 -2.1807 0.8790 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.0771 -0.4101 0.5336 O 0 0 0 0 0 1 0 0 0 0 0 0
4.1183 -0.8743 -0.1857 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2938 0.7121 -0.5359 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0415 -1.9402 0.3215 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5352 1.7213 -0.6307 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5996 2.8041 -0.7072 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6903 1.5840 -0.1566 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3604 -1.8897 0.5556 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