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
-3.0675 -0.4698 -0.8295 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8594 -0.9685 -0.7262 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7165 -0.1991 -0.2229 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7946 1.1048 0.1858 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3265 1.7962 0.6588 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5416 1.1515 0.7159 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6493 -0.1578 0.3119 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5363 -0.8122 -0.1471 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8924 -0.8484 0.3603 N 0 0 0 0 0 4 0 0 0 0 0 0
3.8855 -0.2238 0.7831 O 0 0 0 0 0 0 0 0 0 0 0 0
3.0178 -2.1571 -0.0396 O 0 0 0 0 0 1 0 0 0 0 0 0
-3.8991 -1.0554 -1.2041 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2534 0.5350 -0.5422 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7303 -2.0094 -1.0378 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7386 1.6276 0.1486 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2196 2.8429 0.9771 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4108 1.7047 1.0882 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5796 -1.8612 -0.4803 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