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
2.7895 -1.0058 -0.3483 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1937 0.1612 -0.5226 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7951 0.3482 -0.2650 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2654 1.6266 -0.4825 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0642 1.8646 -0.2534 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8789 0.8429 0.1916 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3792 -0.4301 0.4143 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0280 -0.6663 0.1799 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2225 -1.4752 0.8716 N 0 0 0 0 0 4 0 0 0 0 0 0
-3.4265 -1.2608 1.0793 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.7323 -2.7272 1.0908 O 0 0 0 0 0 1 0 0 0 0 0 0
2.2214 -1.8397 -0.0059 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8745 -1.0950 -0.5627 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7812 1.0236 -0.8767 H 0 0 0 0 0 0 0 0 0 0 0 0
0.8979 2.4467 -0.8350 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4934 2.8409 -0.4141 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9189 1.0139 0.3747 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3252 -1.6685 0.3640 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