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
3.1006 -0.9291 -0.1114 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8374 -1.2140 -0.3382 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7261 -0.3032 -0.0613 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8924 0.9514 0.4679 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2263 1.7627 0.7034 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5083 1.3500 0.4226 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6803 0.0901 -0.1092 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5855 -0.7037 -0.3396 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9972 -0.3571 -0.4072 N 0 0 0 0 0 4 0 0 0 0 0 0
-4.0029 0.3573 -0.2015 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.1560 -1.5970 -0.9297 O 0 0 0 0 0 1 0 0 0 0 0 0
3.3551 0.0294 0.3039 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8865 -1.6343 -0.3324 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6223 -2.1949 -0.7594 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8852 1.3227 0.7066 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1007 2.7540 1.1210 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3472 2.0022 0.6172 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7012 -1.6865 -0.7529 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