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
2.6315 -1.3658 0.3901 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2696 -0.2769 -0.2244 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8864 0.1704 -0.2518 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5277 1.3414 -0.9183 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7721 1.7726 -0.9508 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7708 1.0479 -0.3159 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4659 -0.1177 0.3571 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1345 -0.5153 0.3629 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4638 -0.8684 1.0082 N 0 0 0 0 0 4 0 0 0 0 0 0
-2.1712 -1.9054 1.6029 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.7582 -0.4576 0.9874 O 0 0 0 0 0 1 0 0 0 0 0 0
3.7025 -1.6460 0.3699 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9389 -2.0165 0.9229 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0012 0.3240 -0.7333 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3417 1.8889 -1.4089 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0146 2.6844 -1.4765 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8021 1.3884 -0.3407 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0537 -1.4482 0.9116 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